GSASIIdataGUI.py

# -*- coding: utf-8 -*-
#GSASIIdataGUI - Main GUI routines
#========== SVN repository information ###################
# $Date: 2024-03-17 12:50:24 -0500 (Sun, 17 Mar 2024) $
# $Author: toby $
# $Revision: 5767 $
# $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIdataGUI.py $
# $Id: GSASIIdataGUI.py 5767 2024-03-17 17:50:24Z toby $
#=========- SVN repository information ###################
'''
Routines for main GUI wx.Frame follow. 
'''
from __future__ import division, print_function
import platform
import pickle
import time
import math
import random as ran
import copy
import sys
import os
import inspect
if '2' in platform.python_version_tuple()[0]:
    import cPickle
else:
    try:
        import _pickle as cPickle
    except:
        print('Warning: failed to import the optimized Py3 pickle (_pickle)')
        import pickle as cPickle
import re
import numpy as np
import numpy.ma as ma
import matplotlib as mpl
try:
    import OpenGL as ogl
    try:
        import OpenGL.GL   # this fails in <=2020 versions of Python on OS X 11.x
    except ImportError:
        print('Drat, patching for Big Sur')
        from ctypes import util
        orig_util_find_library = util.find_library
        def new_util_find_library( name ):
            res = orig_util_find_library( name )
            if res: return res
            return '/System/Library/Frameworks/'+name+'.framework/'+name
        util.find_library = new_util_find_library
except ImportError:
    pass
import scipy as sp
import struct as st
try:
    import wx
    import wx.grid as wg
    #import wx.wizard as wz
    #import wx.aui
    import wx.lib.scrolledpanel as wxscroll
except ImportError:
    pass
import GSASIIpath
GSASIIpath.SetVersionNumber("$Revision: 5767 $")
import GSASIImath as G2mth
import GSASIIIO as G2IO
import GSASIIfiles as G2fil
import GSASIIstrIO as G2stIO
import GSASIIlattice as G2lat
import GSASIIplot as G2plt
import GSASIIpwdGUI as G2pdG
import GSASIIimgGUI as G2imG
import GSASIIphsGUI as G2phG
import GSASIIspc as G2spc
import GSASIImapvars as G2mv
import GSASIIconstrGUI as G2cnstG
import GSASIIrestrGUI as G2restG
import GSASIIobj as G2obj
import GSASIIlog as log
import GSASIIctrlGUI as G2G
import GSASIIElem as G2elem
import GSASIIpwd as G2pwd
import GSASIIstrMain as G2stMn
#import GSASIIstrMath as G2stMth
import defaultIparms as dI
import GSASIIfpaGUI as G2fpa
import GSASIIseqGUI as G2seq
import GSASIIddataGUI as G2ddG
#import GSASIIspc as G2spc

try:
    wx.NewIdRef
    wx.NewId = wx.NewIdRef
except AttributeError:
    pass

# trig functions in degrees
sind = lambda x: np.sin(x*np.pi/180.)
tand = lambda x: np.tan(x*np.pi/180.)
cosd = lambda x: np.cos(x*np.pi/180.)

# Define short names for convenience
WACV = wx.ALIGN_CENTER_VERTICAL
VERY_LIGHT_GREY = wx.Colour(240,240,240)
DULL_YELLOW = (230,230,190)

# define Ids for wx menu items
commonTrans = {'abc':np.eye(3),'a-cb':np.array([[1.,0.,0.],[0.,0.,-1.],[0.,1.,0.]]),
    'ba-c':np.array([[0.,1.,0.],[1.,0.,0.],[0.,0.,-1.]]),'-cba':np.array([[0.,0.,-1.],[0.,1.,0.],[1.,0.,0.]]),
    'bca':np.array([[0.,1.,0.],[0.,0.,1.],[1.,0.,0.]]),'cab':np.array([[0.,0.,1.],[1.,0.,0.],[0.,1.,0.]]),
    'R->H':np.array([[1.,-1.,0.],[0.,1.,-1.],[1.,1.,1.]]),'H->R':np.array([[2./3,1./3,1./3],[-1./3,1./3,1./3],[-1./3,-2./3,1./3]]),
    'P->A':np.array([[-1.,0.,0.],[0.,-1.,1.],[0.,1.,1.]]),'R->O':np.array([[-1.,0.,0.],[0.,-1.,0.],[0.,0.,1.]]),
    'P->B':np.array([[-1.,0.,1.],[0.,-1.,0.],[1.,0.,1.]]),'B->P':np.array([[-.5,0.,.5],[0.,-1.,0.],[.5,0.,.5]]),
    'P->C':np.array([[1.,1.,0.],[1.,-1.,0.],[0.,0.,-1.]]),'C->P':np.array([[.5,.5,0.],[.5,-.5,0.],[0.,0.,-1.]]),
    'P->F':np.array([[-1.,1.,1.],[1.,-1.,1.],[1.,1.,-1.]]),'F->P':np.array([[0.,.5,.5],[.5,0.,.5],[.5,.5,0.]]),   
    'P->I':np.array([[0.,1.,1.],[1.,0.,1.],[1.,1.,0.]]),'I->P':np.array([[-.5,.5,.5],[.5,-.5,.5],[.5,.5,-.5]]),    
    'A->P':np.array([[-1.,0.,0.],[0.,-.5,.5],[0.,.5,.5]]),'O->R':np.array([[-1.,0.,0.],[0.,-1.,0.],[0.,0.,1.]]), 
    'abc*':np.eye(3), }
commonNames = ['abc','bca','cab','a-cb','ba-c','-cba','P->A','A->P','P->B','B->P','P->C','C->P',
    'P->I','I->P','P->F','F->P','H->R','R->H','R->O','O->R','abc*','setting 1->2']          #don't put any new ones after the setting one!

def SetDefaultDData(dType,histoName,NShkl=0,NDij=0):
    ''' Sets default values for various histogram parameters
    param: str dType: 3 letter histogram type, e.g. 'PNT'
    param: str histoName: histogram name as it aoears in tree
    param: NShkl int: number of generalized mustrain coefficients - depends on symmetry
    param: NDij int: number of hydrostatic strain coefficients - depends on symmetry
    
    returns dict: default data for histogram - found in data tab for phase/histogram 
    '''
    if dType in ['SXC','SNC','SEC']:
        return {'Histogram':histoName,'Show':False,'Scale':[1.0,True],'Type':dType,
            'Babinet':{'BabA':[0.0,False],'BabU':[0.0,False]},
            'Extinction':['Lorentzian','None', {'Tbar':0.1,'Cos2TM':0.955,
            'Eg':[1.e-10,False],'Es':[1.e-10,False],'Ep':[1.e-10,False]}],
            'Flack':[0.0,False]}
    elif dType == 'SNT':
        return {'Histogram':histoName,'Show':False,'Scale':[1.0,True],'Type':dType,
            'Babinet':{'BabA':[0.0,False],'BabU':[0.0,False]},
            'Extinction':['Lorentzian','None', {
            'Eg':[1.e-10,False],'Es':[1.e-10,False],'Ep':[1.e-10,False]}]}
    elif 'P' in dType:
        return {'Histogram':histoName,'Show':False,'Scale':[1.0,False],'Type':dType,
            'Pref.Ori.':['MD',1.0,False,[0,0,1],0,{},[],0.1],
            'Size':['isotropic',[1.,1.,1.],[False,False,False],[0,0,1],
                [1.,1.,1.,0.,0.,0.],6*[False,]],
            'Mustrain':['isotropic',[1000.0,1000.0,1.0],[False,False,False],[0,0,1],
                NShkl*[0.01,],NShkl*[False,]],
            'HStrain':[NDij*[0.0,],NDij*[False,]],                          
            'Extinction':[0.0,False],'Babinet':{'BabA':[0.0,False],'BabU':[0.0,False]}}
        
def GetDisplay(pos):
    '''Gets display number (0=main display) for window position (pos). If pos outside all displays
    returns None
    '''
    displays = np.array([list(wx.Display(i).GetGeometry()) for i in range(wx.Display.GetCount())])
    for ip,display in enumerate(displays):
        display[2:3] += display[0:1]
        if (display[0] < pos[0] < display[2]) and (display[1] < pos[1] < display[3]):
            return ip
    return None

#### class definitions used for main GUI ######################################     
class MergeDialog(wx.Dialog):
    ''' HKL transformation & merge dialog
    
    :param wx.Frame parent: reference to parent frame (or None)
    :param data: HKLF data
    
    '''        
               
    def __init__(self,parent,data):
        wx.Dialog.__init__(self,parent,wx.ID_ANY,'Setup HKLF merge', 
            pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
        self.panel = wx.Panel(self)         #just a dummy - gets destroyed in Draw!
        self.data = data
        self.Super = data[1]['Super']
        if self.Super:
            self.Trans = np.eye(4)
        else:
            self.Trans = np.eye(3)
        self.Cent = 'noncentrosymmetric'
        self.Laue = '1'
        self.Class = 'triclinic'
        self.Common = 'abc'
        self.Draw()
        
    def Draw(self):
                
        def OnCent(event):
            Obj = event.GetEventObject()
            self.Cent = Obj.GetValue()
            self.Laue = ''
            wx.CallAfter(self.Draw)
            
        def OnLaue(event):
            Obj = event.GetEventObject()
            self.Laue = Obj.GetValue()
            wx.CallAfter(self.Draw)
            
        def OnClass(event):
            Obj = event.GetEventObject()
            self.Class = Obj.GetValue()
            self.Laue = ''
            wx.CallAfter(self.Draw)
            
        def OnCommon(event):
            Obj = event.GetEventObject()
            self.Common = Obj.GetValue()
            self.Trans = commonTrans[self.Common]
            wx.CallAfter(self.Draw)
       
        self.panel.Destroy()
        self.panel = wx.Panel(self)
        mainSizer = wx.BoxSizer(wx.VERTICAL)
        MatSizer = wx.BoxSizer(wx.HORIZONTAL)
        transSizer = wx.BoxSizer(wx.VERTICAL)
        transSizer.Add(wx.StaticText(self.panel,label=" HKL Transformation matrix: M*H = H'"))
        if self.Super:
            Trmat = wx.FlexGridSizer(4,4,0,0)
        else:
            commonSizer = wx.BoxSizer(wx.HORIZONTAL)
            commonSizer.Add(wx.StaticText(self.panel,label=' Common transformations: '),0,WACV)
            common = wx.ComboBox(self.panel,value=self.Common,choices=commonNames[:-2], #not the last two!
                style=wx.CB_READONLY|wx.CB_DROPDOWN)
            common.Bind(wx.EVT_COMBOBOX,OnCommon)
            commonSizer.Add(common,0,WACV)
            transSizer.Add(commonSizer)
            Trmat = wx.FlexGridSizer(3,3,0,0)
        for iy,line in enumerate(self.Trans):
            for ix,val in enumerate(line):
                item = G2G.ValidatedTxtCtrl(self.panel,self.Trans[iy],ix,nDig=(10,3),size=(65,25))
                Trmat.Add(item)
        transSizer.Add(Trmat)
        MatSizer.Add((10,0),0)
        MatSizer.Add(transSizer)
        mainSizer.Add(MatSizer)
        laueClass = ['triclinic','monoclinic','orthorhombic','trigonal(H)','trigonal(R)','tetragonal','hexagonal','cubic']
        centroLaue = {'triclinic':['-1',],'monoclinic':['2/m','1 1 2/m','2/m 1 1',],
            'orthorhombic':['m m m',],'trigonal(H)':['-3','-3 m 1','-3 1 m',],'trigonal(R)':['-3','-3 m'],\
            'tetragonal':['4/m','4/m m m',],'hexagonal':['6/m','6/m m m',],'cubic':['m 3','m 3 m']}
        noncentroLaue = {'triclinic':['1',],'monoclinic':['2','2 1 1','1 1 2','m','m 1 1','1 1 m',],
            'orthorhombic':['2 2 2','m m 2','m 2 m','2 m m',],
            'trigonal(H)':['3','3 1 2','3 2 1','3 m 1','3 1 m',],'trigonal(R)':['3','3 m'],
            'tetragonal':['4','-4','4 2 2','4 m m','-4 2 m','-4 m 2',], \
            'hexagonal':['6','-6','6 2 2','6 m m','-6 m 2','-6 2 m',],'cubic':['2 3','4 3 2','-4 3 m']}
        centChoice = ['noncentrosymmetric','centrosymmetric']
        mainSizer.Add(wx.StaticText(self.panel,label=' Select Laue class for new lattice:'),0)
        Class = wx.ComboBox(self.panel,value=self.Class,choices=laueClass,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        Class.Bind(wx.EVT_COMBOBOX,OnClass)
        mainSizer.Add(Class,0)
        mainSizer.Add(wx.StaticText(self.panel,label=' Target Laue symmetry:'),0)
        Cent = wx.ComboBox(self.panel,value=self.Cent,choices=centChoice,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        Cent.Bind(wx.EVT_COMBOBOX,OnCent)
        mergeSizer = wx.BoxSizer(wx.HORIZONTAL)
        mergeSizer.Add(Cent,0,WACV)
        mergeSizer.Add((10,0),0)
        Choice = centroLaue[self.Class]
        if 'non' in self.Cent:
            Choice = noncentroLaue[self.Class]
        Laue = wx.ComboBox(self.panel,value=self.Laue,choices=Choice,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        Laue.Bind(wx.EVT_COMBOBOX,OnLaue)
        mergeSizer.Add(Laue,0,WACV)
        mainSizer.Add(mergeSizer)

        OkBtn = wx.Button(self.panel,-1,"Ok")
        OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
        cancelBtn = wx.Button(self.panel,-1,"Cancel")
        cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
        btnSizer = wx.BoxSizer(wx.HORIZONTAL)
        btnSizer.Add((20,20),1)
        if self.Laue:
            btnSizer.Add(OkBtn)
            btnSizer.Add((20,20),1)
        btnSizer.Add(cancelBtn)
        btnSizer.Add((20,20),1)
        
        mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10)
        self.panel.SetSizer(mainSizer)
        self.panel.Fit()
        self.Fit()
        
    def GetSelection(self):
        return self.Trans,self.Cent,self.Laue

    def OnOk(self,event):
        parent = self.GetParent()
        if parent is not None: parent.Raise()
        self.EndModal(wx.ID_OK)

    def OnCancel(self,event):
        parent = self.GetParent()
        if parent is not None: parent.Raise()
        self.EndModal(wx.ID_CANCEL)
        
def GUIpatches():
    'Misc fixes that only needs to be done when running a GUI'
    try:  # patch for LANG environment var problem on occasional OSX machines
        import locale
        locale.getdefaultlocale()
    except ValueError:
        print('Fixing location (see https://github.com/matplotlib/matplotlib/issues/5420.)')
        os.environ['LC_ALL'] = 'en_US.UTF-8'
        locale.getdefaultlocale()
    # PATCH: for Mavericks (OS X 10.9.x), wx produces an annoying warning about LucidaGrandeUI.
    # In case stderr has been suppressed there, redirect python error output to stdout. Nobody
    # else should care much about this. 
    sys.stderr = sys.stdout

def convVersion(version):
    '''Convert a version string ("x", "x.y", "x.y.z") into a series of ints. 

    :returns: [i0, i1, i2] where None is used if a value is not specified 
       and 0 is used if a field cannot be parsed.
    '''
    vIntList = [None,None,None]
    for i,v in enumerate(version.split('.')):
        if i >= 3: break
        if len(v) == 0: break
        v = list(filter(None,re.split('(\\d+)',v)))[0]   # conv '1b2' to '1'
        try:
            vIntList[i] = int(v)
        except:
            vIntList[i] = 0
    return vIntList

def compareVersions(version1,version2):
    '''Compare two version strings ("x", "x.y", "x.y.z")
    Note that '3.' matches '3.1', and '3.0' matches '3.0.1'
    but '3.0.0' does not match '3.0.1'

    :returns: 0 if the versions match, -1 if version1 < version2, 
       or 1 if version1 > version2
    '''
    for v1,v2 in zip(convVersion(version1),convVersion(version2)):
        if v1 is None or v2 is None:
            return 0
        if v1 < v2: return -1
        if v1 > v2: return 1
    return 0

# tabulate package versions that users should be warned about
versionDict = {}
'''Variable versionDict is used to designate versions of packages that 
should generate warnings or error messages. 

* ``versionDict['tooOld']`` is a dict with module versions that are too old and are 
  known to cause serious errors
* ``versionDict['tooOldWarn']`` is a dict with module versions that are 
  significantly out of date and should be updated, but will probably function OK.
* ``versionDict['badVersionWarn']`` is a dict of with lists of package 
  versions that are known to have bugs. One should select an older or 
  newer version of the package. 
* ``versionDict['tooNewUntested']`` is a dict with module versions that have 
  not been tested but there is no reason to expect problems
* ``versionDict['tooNewWarn']`` is a dict with module versions that have not 
  been tested but there are concerns that problems may occur. 

**Packages/versions to be avoided**

* Python:

 * We are no longer supporting Python <=2.7 and <=3.6. Jan. 2023: We will soon start 
   removing code that is specific to Python 2.7. 
 * A problem has been noted with wx4.0.7.post2 with Python 3.10 that we can't 
   yet duplicate (2/4/22).
 * We anticipate that Python 3.10+ will flag code that previously worked fine,
   because it reports errors where we pass a floating point number to a 
   wxpython routine that expects a int value. We are fixing these as we learn about them.

* wxPython:

 * <=2.x.x: while most of GSAS-II has been written to be 
   compatible with older versions of wxpython, we are now testing with 
   version 4.0+ only.
 * wxpython 3.0 is pretty similar to 4.0, but we did see 
   some issues with Python 3.x. 
 * wxpython 4.1 has some serious internal bugs with Python 3.10+ so we recommend 
   4.2+ for compatibility with newer Python versions.
 * 4.2.0 has a problem on MacOS where buttons w/default size are not displayed properly.
   (see https://github.com/wxWidgets/Phoenix/issues/2319). Worked around (mostly?) in our code. 

* Matplotlib:

  * 1.x: there have been significant API changes since these versions and 
    significant graphics errors will occur. 
  * 3.1.x and 3.2.x: these versions have a known bug for plotting
    3-D surfaces, such as microstrain vs crystal axes. The plots may appear 
    distorted as the lengths of x, y & z will not be constrained as equal.
    Preferably use 3.0.x as 3.3.x is not fully tested.
  * between 3.3.x vs 3.6.x there seems to be a change in how 3d graphics
    are handled; we seem to have this fixed, but not sure how <3.3 will work. 
    Since 3.1 & 3.2 have problems; warn w/mpl <3.3.0

* numpy: 

  * 1.16.0: produces .gpx files that are not compatible with older 
    version numpy versions. This is a pretty outmoded version; upgrade.

'''
# add comments above when changing anything below
versionDict['tooOld'] = {'matplotlib': '2.', 'Python':'2.7'}
'modules that will certainly fail'
versionDict['tooOldWarn'] = {'wx': '3.99','Python':'3.6','matplotlib': '3.2.99'}
'modules that may fail and should be updated'
versionDict['badVersionWarn'] = {'numpy':['1.16.0'],
                                 'matplotlib': ['3.1','3.2'],
                                 'wx':['4.1']}
'versions of modules that are known to have bugs'
versionDict['tooNewWarn'] = {} 
'module versions newer than what we have tested & where problems are suspected'
versionDict['tooNewUntested'] = {'Python':'3.12','wx': '4.2.2'}
'module versions newer than what we have tested but no problems are suspected'

def ShowVersions():
    '''Show the versions all of required Python packages, etc.
    '''
    import numpy as np
    import scipy as sp
    import wx
    import matplotlib as mpl
    import OpenGL as ogl
    import GSASIIpath
    pkgList = [('Python',None), ('wx',wx), ('matplotlib', mpl), ('numpy',np),
                   ('scipy',sp), ('OpenGL',ogl)]
    if GSASIIpath.GetConfigValue('debug'):
        try:
            import IPython
            pkgList.append(('IPython',IPython))
        except:
            pass
    print ("Python/module versions loaded:")
    version = '?'
    versionDict['errors'] = ''
    warn = False
    for s,m in pkgList:
        msg = ''
        if s == 'Python':
            pkgver = platform.python_version()
            prefix = ''
            msg = "from {}. ".format(sys.executable)
        else:
            pkgver = m.__version__
            prefix = 'Package '
        if s in versionDict['tooOld']:
            match = compareVersions(pkgver,versionDict['tooOld'][s])
            if match <= 0:
                if msg: msg += ' -- '
                msg += "Too old, problems are likely"
                warn = True
                if versionDict['errors']: versionDict['errors'] += '\n'
                versionDict['errors'] += prefix + '{} version {} is too old for GSAS-II. An update is required. '.format(s,pkgver)
        if s in versionDict['tooOldWarn']:
            match = compareVersions(pkgver,versionDict['tooOldWarn'][s])
            if match <= 0:
                msg += "Version can cause problems"
                warn = True
        if s in versionDict['badVersionWarn']:
            for v in versionDict['badVersionWarn'][s]:
                if compareVersions(pkgver,v) == 0:
                    msg += "Version is known to be buggy"
                    warn = True
                    break
        if s in versionDict['tooNewUntested'] and not warn:
            match = compareVersions(pkgver,versionDict['tooNewUntested'][s])
            if match >= 0:
                msg += "\n              "
                msg += "New untested version; please keep us posted"
                warn = True
        if s in versionDict['tooNewWarn'] and not warn:
            match = compareVersions(pkgver,versionDict['tooNewWarn'][s])
            if match >= 0:
                msg += "Tests incomplete w/suspected bugs; Please report problems"
        print("  {:12s}{}  {}".format(s+':',pkgver,msg))

    Image = None
    try:
        from PIL import Image
    except ImportError:
        try:
            import Image
        except ImportError:
            pass
    if Image is None:
        print ("Image module not present; Note that PIL (Python Imaging Library) or pillow is needed for some image operations")
    else:
        # version # can be in various places, try standard dunderscore first
        for ver in '__version__','VERSION','PILLOW_VERSION':
            if hasattr(Image,ver):
                try:
                    version = eval('Image.'+ver)
                    break
                except:
                    pass
        print ("  Image:      %s (PIL or Pillow)"%version)
    print ("  Platform:   %s %s %s"%(sys.platform,platform.architecture()[0],platform.machine()))
    try:
        import mkl
        print ("  Max threads:%s"%mkl.get_max_threads())
    except:
        pass
    print(GSASIIpath.getG2VersionInfo())

    if not GSASIIpath.TestSPG(GSASIIpath.binaryPath):
        versionDict['errors'] += 'Error accessing GSAS-II binary files. Only limited functionality available.'
    else:
        prog = 'convcell'
        if sys.platform.startswith('win'): prog += '.exe'
        if not os.path.exists(os.path.join(GSASIIpath.binaryPath,prog)):
            versionDict['errors'] += 'Installed binary files need an update. If you built them, rerun scons'
    if warn:
        print(70*'=')
        print('''You are running GSAS-II in a Python environment with either untested 
or known to be problematic packages, as noted above. If you are seeing 
problems in running GSAS-II you are suggested to install an additional 
copy of GSAS-II from one of the gsas2full installers (see 
https://bit.ly/G2install). This will provide a working Python 
environment as well as the latest GSAS-II version. 

For information on GSAS-II package requirements see 
https://gsas-ii.readthedocs.io/en/latest/packages.html''')
        print(70*'=','\n')

def TestOldVersions():
    '''Test the versions of required Python packages, etc.
    Returns a non-empty text string if there are problems.
    '''
    import numpy as np
    import scipy as sp
    import wx
    import matplotlib as mpl
    import OpenGL as ogl
    warnmsg = ''
    errmsg = ''
    for s,m in [('Python',None), ('wx',wx), ('matplotlib', mpl), ('numpy',np),
                    ('scipy',sp), ('OpenGL',ogl)]:
        if s == 'Python':
            pkgver = platform.python_version()
            prefix = ''
        else:
            pkgver = m.__version__
            prefix = 'Package '+s
        if s in versionDict['tooOld']:
            match = compareVersions(pkgver,versionDict['tooOld'][s])
            if match <= 0:
                if errmsg: errmsg += '\n'
                errmsg += prefix + '{} version {} is too old to run GSAS-II.'.format(s,pkgver)
        if s in versionDict['tooOldWarn']:
            match = compareVersions(pkgver,versionDict['tooOldWarn'][s])
            if match <= 0:
                if warnmsg: warnmsg += '\n'
                warnmsg += prefix + '{} version {} is likely too old for GSAS-II.'.format(s,pkgver)
        if s in versionDict['badVersionWarn']:
            for v in versionDict['badVersionWarn'][s]:
                if compareVersions(pkgver,v) == 0:
                    if errmsg: errmsg += '\n'
                    errmsg += prefix + '{} version {} causes problems with GSAS-II.'.format(s,pkgver)
                    break
    return errmsg,warnmsg
        
#### GUI creation #############################################################
def GSASIImain(application):
    '''Start up the GSAS-II GUI'''                        
    ShowVersions()
    GUIpatches()
    
    if platform.python_version()[:3] == '2.7':
        msg = '''The end-of-life for python 2.7 was January 1, 2020. 
We strongly recommend reinstalling GSAS-II from a new installation kit as we may not be able to offer support for operation of GSAS-II in python 2.7. See instructions for details.
'''
        download = ''
        cmds = []
        instructions = 'https://subversion.xray.aps.anl.gov/trac/pyGSAS'
        if sys.platform == "win32":
            download = 'https://subversion.xray.aps.anl.gov/admin_pyGSAS/downloads/gsas2full-Latest-Windows-x86_64.exe'
            instructions = 'https://subversion.xray.aps.anl.gov/trac/pyGSAS/wiki/SingleStepWindowsIllustrated'
        elif sys.platform == "darwin":
            cmds = ['echo starting download, please wait...',
                    '''echo 'curl "https://subversion.xray.aps.anl.gov/admin_pyGSAS/downloads/gsas2full-Latest-MacOSX-x86_64.sh" > /tmp/g2.sh; bash /tmp/g2.sh' ''',
                    'curl "https://subversion.xray.aps.anl.gov/admin_pyGSAS/downloads/gsas2full-Latest-MacOSX-x86_64.sh" > /tmp/g2.sh; bash /tmp/g2.sh'
                    ]
            instructions = 'https://subversion.xray.aps.anl.gov/trac/pyGSAS/wiki/MacSingleStepInstallerFigs'
        elif sys.platform.startswith("linux"):
            download = 'https://subversion.xray.aps.anl.gov/admin_pyGSAS/downloads/gsas2full-Latest-Linux-x86_64.sh'
            instructions = 'https://subversion.xray.aps.anl.gov/trac/pyGSAS/wiki/LinuxSingleStepInstaller'
        else:
            print(u'Unknown platform: '+sys.platform)
        if platform.architecture()[0] != '64bit' and sys.platform == "win32":
            msg += '''\nYou are currently using 32-bit Python. Please check if you are running 32-bit windows or 64-bit windows (use Start/Settings/System/About & look for "System type".
            We recommend using the 64-bit installer if you have 64-bit windows.'''
            download = ''
        elif platform.architecture()[0] != '64bit' and sys.platform.startswith("linux"):
            msg += '''\nYou are using 32-bit Python. We now only package for 64-bit linux.
            If you are running 32-bit linux you will need to install Python yourself.
            See instructions at https://subversion.xray.aps.anl.gov/trac/pyGSAS/wiki/InstallLinux'''
            instructions = 'https://subversion.xray.aps.anl.gov/trac/pyGSAS/wiki/InstallLinux'
        dlg = wx.Dialog(None,wx.ID_ANY,'End-Of-Life warning for Python 2.7',
            style=wx.DEFAULT_DIALOG_STYLE|wx.RESIZE_BORDER)
        mainSizer = wx.BoxSizer(wx.VERTICAL)
        txt = wx.StaticText(dlg,wx.ID_ANY,G2G.StripIndents(msg))
        mainSizer.Add(txt)
        txt.Wrap(400)
        dlg.SetSizer(mainSizer)
        btnsizer = wx.BoxSizer(wx.HORIZONTAL)
        btnsizer.Add((1,1),1,wx.EXPAND,1)
        OKbtn = wx.Button(dlg, wx.ID_OK,'Continue')
        OKbtn.SetDefault()
        OKbtn.Bind(wx.EVT_BUTTON,lambda event: dlg.EndModal(wx.ID_OK))
        btnsizer.Add(OKbtn)

        btn = wx.Button(dlg, wx.ID_ANY,'Show Instructions')
        def openInstructions(event):
            G2G.ShowWebPage(instructions,None)
        btn.Bind(wx.EVT_BUTTON, openInstructions)
        btnsizer.Add(btn)
        if download:
            btn = wx.Button(dlg, wx.ID_ANY,'Start Download')
            btn.Bind(wx.EVT_BUTTON,lambda event: dlg.EndModal(wx.ID_YES))
            btnsizer.Add(btn)
        elif cmds:
            btn = wx.Button(dlg, wx.ID_ANY,'Start Install')
            btn.Bind(wx.EVT_BUTTON,lambda event: dlg.EndModal(wx.ID_CANCEL))
            btnsizer.Add(btn)

        #btn = wx.Button(dlg, wx.ID_CANCEL)
        #btnsizer.AddButton(btn)
        btnsizer.Add((1,1),1,wx.EXPAND,1)
        #btnsizer.Realize()
        mainSizer.Add((-1,5),1,wx.EXPAND,1)
        mainSizer.Add(btnsizer,0,wx.ALIGN_CENTER,0)
        mainSizer.Add((-1,10))
        res = 0
        try:
            res = dlg.ShowModal()
        finally:
            dlg.Destroy()
        if res == wx.ID_YES:
            G2G.ShowWebPage(download,None)
            G2G.ShowWebPage(instructions,None)
            wx.Sleep(1)
            dlg = wx.MessageDialog(None,G2G.StripIndents(
                    '''Download has been started in your browser; installation instructions will also be shown in a web page\n\nPress OK to exit GSAS-II, Cancel to continue.'''),
                    'start install',wx.OK|wx.CANCEL)
            if dlg.ShowModal() == wx.ID_OK:
                sys.exit()
        elif res == wx.ID_CANCEL:
            dlg = wx.MessageDialog(None,G2G.StripIndents(
                    '''Press OK to continue. Instructions will be shown in a web page. 
                    Download and installation will start in the terminal window after you press OK. Respond to questions there.'''),
                    'start install',wx.OK|wx.CANCEL)
            if dlg.ShowModal() == wx.ID_OK:
                G2G.ShowWebPage(instructions,None)
                GSASIIpath.runScript(cmds, wait=True)    
                sys.exit()
    if versionDict['errors']:
        msg = (
        '\n\nGSAS-II will attempt to start, but this problem needs '+
        'to be fixed for proper operation. Usually, the simplest solution '+
        'will be to reinstall GSAS-II.'+
        '\nSee https://bit.ly/G2install')
        dlg = wx.MessageDialog(None, versionDict['errors']+msg,
                'GSAS-II Installation Problem',  wx.OK)
        try:
            dlg.ShowModal()
        finally:
            dlg.Destroy()
        msg = ''
        #sys.exit()
    elif platform.python_version_tuple()[0] == '2' and int(platform.python_version_tuple()[1]) < 7: 
        msg = 'GSAS-II works best with Python version 3.7 or later.\nThis version is way too old: '+sys.version.split()[0]
    elif platform.python_version_tuple()[0] == '3' and int(platform.python_version_tuple()[1]) < 6: 
        msg = 'GSAS-II works best with Python version 3.7 or later.\nThis version is too old: '+sys.version.split()[0]
    else:
        msg = ''
    if msg:
        dlg = wx.MessageDialog(None, msg, 'Python version error',  wx.OK)
        try:
            dlg.ShowModal()
        finally:
            dlg.Destroy()
        sys.exit()
                
    application.main = GSASII(None)  # application.main is the main wx.Frame (G2frame in most places)
    application.SetTopWindow(application.main)
    # save the current package versions
    application.main.PackageVersions = G2fil.get_python_versions([wx, mpl, np, sp, ogl])
    if GSASIIpath.GetConfigValue('wxInspector'):
        import wx.lib.inspection as wxeye
        wxeye.InspectionTool().Show()

    try:
        application.SetAppDisplayName('GSAS-II')
    except:
        pass
    #application.GetTopWindow().SendSizeEvent()
    application.GetTopWindow().Show(True)
    application.main.UpdateTask = GSASIIpath.GetRepoUpdatesInBackground()

#### Create main frame (window) for GUI; main menu items here #######################################
class GSASII(wx.Frame):
    '''Define the main GSAS-II frame and its associated menu items.

    :param parent: reference to parent application

    '''                
    def MenuBinding(self,event):
        '''Called when a menu is clicked upon; looks up the binding in table
        '''
        log.InvokeMenuCommand(event.GetId(),self,event)
            
    def _Add_FileMenuItems(self, parent):
        '''Add items to File menu
        '''
        item = parent.Append(wx.ID_ANY,'&Open project...\tCtrl+O','Open a GSAS-II project (.gpx) file')            
        self.Bind(wx.EVT_MENU, self.OnFileOpen, id=item.GetId())
        # if sys.platform == "darwin": 
        item = parent.Append(wx.ID_ANY,'&Open in new window...','Open a GSAS-II project (.gpx) file in a separate process')
        self.Bind(wx.EVT_MENU, self.OnNewGSASII, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Reopen recent...\tCtrl+E','Reopen a previously used GSAS-II project (.gpx) file')
        self.Bind(wx.EVT_MENU, self.OnFileReopen, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'&Open w/project browser\tCtrl+B','Use project browser to a GSAS-II project (.gpx) file')            
        self.Bind(wx.EVT_MENU, self.OnFileBrowse, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'&Save project\tCtrl+S','Save project under current name')
        self.Bind(wx.EVT_MENU, self.OnFileSave, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Save project as...','Save current project to new file')
        self.Bind(wx.EVT_MENU, self.OnFileSaveas, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'&New project','Create empty new project, saving current is optional')
        self.Bind(wx.EVT_MENU, self.OnFileClose, id=item.GetId())
        item = parent.Append(wx.ID_PREFERENCES,"&Preferences",'')
        self.Bind(wx.EVT_MENU, self.OnPreferences, item)
        if GSASIIpath.HowIsG2Installed() == 'svn':
            item = parent.Append(wx.ID_ANY,'Edit proxy...','Edit proxy internet information (used for updates)')
            self.Bind(wx.EVT_MENU, self.EditProxyInfo, id=item.GetId())
        if GSASIIpath.GetConfigValue('debug'):
            try: 
                import IPython
                item = parent.Append(wx.ID_ANY,"IPython Console",'')
                self.Bind(wx.EVT_MENU,
                              lambda event:GSASIIpath.IPyBreak(),
                              item)
            except ImportError:
                pass
            def OnwxInspect(event):
                import wx.lib.inspection as wxeye
                wxeye.InspectionTool().Show()
            item = parent.Append(wx.ID_ANY,"wx inspection tool",'')
            self.Bind(wx.EVT_MENU, OnwxInspect, item)
            item = parent.Append(wx.ID_ANY,'Reopen current\tCtrl+0','Reread the current GSAS-II project (.gpx) file')
            self.Bind(wx.EVT_MENU, self.OnFileReread, id=item.GetId())
            
        item = parent.Append(wx.ID_ANY,"Install GSASIIscriptable shortcut",'')
        self.Bind(wx.EVT_MENU,
                      lambda event: GSASIIpath.makeScriptShortcut(),
                      item)

        item = parent.Append(wx.ID_EXIT,'Exit\tALT+F4','Exit from GSAS-II')
        self.Bind(wx.EVT_MENU, self.ExitMain, id=item.GetId())
        
    def _Add_DataMenuItems(self,parent):
        '''Add items to Data menu
        '''
        item = parent.Append(wx.ID_ANY,'Read Powder Pattern Peaks...','')
        self.Bind(wx.EVT_MENU, self.OnReadPowderPeaks, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Sum or Average powder data','')
        self.Bind(wx.EVT_MENU, self.OnPwdrSum, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Sum image data','')
        self.Bind(wx.EVT_MENU, self.OnImageSum, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Add new phase','')
        self.Bind(wx.EVT_MENU, self.OnAddPhase, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Delete phase entries','')
        self.Bind(wx.EVT_MENU, self.OnDeletePhase, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Rename data entry',
                'Rename the selected data tree item (PWDR, HKLF or IMG)')
        self.Bind(wx.EVT_MENU, self.OnRenameData, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Delete data entries',
                'Delete selected data items from data tree')
        self.Bind(wx.EVT_MENU, self.OnDataDelete, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Delete plots','Delete selected plots')
        self.Bind(wx.EVT_MENU, self.OnPlotDelete, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Delete sequential result entries','')
        self.Bind(wx.EVT_MENU, self.OnDeleteSequential, id=item.GetId())
        expandmenu = wx.Menu()
        item = parent.AppendSubMenu(expandmenu,'Expand tree items',  
            'Expand items of type in GSAS-II data tree')
        for s in 'all','IMG','PWDR','PDF','HKLF','SASD','REFD':
            if s == 'all':
                help = 'Expand all items in GSAS-II data tree'
            else:
                help = 'Expand '+s+' type items in GSAS-II data tree'
            item = expandmenu.Append(wx.ID_ANY,s,help)
            self.Bind(wx.EVT_MENU,self.ExpandAll,id=item.GetId())
        movemenu = wx.Menu()
        item = parent.AppendSubMenu(movemenu,'Move tree items',  
            'Move items of type items to end of GSAS-II data tree')
        for s in 'IMG','PWDR','PDF','HKLF','SASD','REFD','Phase':
            help = 'Move '+s+' type items to end of GSAS-II data tree'
            item = movemenu.Append(wx.ID_ANY,s,help)
            self.Bind(wx.EVT_MENU,self.MoveTreeItems,id=item.GetId())

    def _Add_CalculateMenuItems(self,parent):
        '''Add items to the Calculate menu
        '''
        item = parent.Append(wx.ID_ANY,'Setup PDFs','Create PDF tree entries for selected powder patterns')
        self.MakePDF.append(item)
        self.Bind(wx.EVT_MENU, self.OnMakePDFs, id=item.GetId())
        
        item = parent.Append(wx.ID_ANY,'&View LS parms\tCTRL+L','View least squares parameters')
        self.Bind(wx.EVT_MENU, self.OnShowLSParms, id=item.GetId())
        
        item = parent.Append(wx.ID_ANY,'&Refine\tCTRL+R','Perform a refinement') 
        if len(self.Refine): # extend state for new menus to match main
            state = self.Refine[0].IsEnabled()
        else:
            state = False
        item.Enable(state)
        self.Refine.append(item)
        self.Bind(wx.EVT_MENU, self.OnRefine, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'Compute partials','Record the contribution from each phase')
        self.Refine.append(item)
        item.Enable(state) # disabled during sequential fits
        self.Bind(wx.EVT_MENU, self.OnRefinePartials, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'&Parameter Impact\tCTRL+I','Perform a derivative calculation')
        self.Bind(wx.EVT_MENU, self.OnDerivCalc, id=item.GetId())
        
        item = parent.Append(wx.ID_ANY,'Save partials as csv','Save the computed partials as a csv file')
        self.Refine.append(item)
        item.Enable(state) # disabled during sequential fits
        self.Bind(wx.EVT_MENU, self.OnSavePartials, id=item.GetId())
        
        item = parent.Append(wx.ID_ANY,'Setup Cluster Analysis','Setup Cluster Analysis')
        self.Bind(wx.EVT_MENU, self.OnClusterAnalysis, id=item.GetId())        
        
        item = parent.Append(wx.ID_ANY,'&Run Fprime','X-ray resonant scattering')
        self.Bind(wx.EVT_MENU, self.OnRunFprime, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'&Run Absorb','x-ray absorption')
        self.Bind(wx.EVT_MENU, self.OnRunAbsorb, id=item.GetId())
        item = parent.Append(wx.ID_ANY,'&Run PlotXNFF','Plot X-ray, neutron & magnetic form factors')
        self.Bind(wx.EVT_MENU, self.OnRunPlotXNFF, id=item.GetId())

#        if GSASIIpath.GetConfigValue('debug'): # allow exceptions for debugging
#            item = parent.Append(help='', id=wx.ID_ANY, kind=wx.ITEM_NORMAL,
#                text='tree test')
#            self.Bind(wx.EVT_MENU, self.TreeTest, id=item.GetId())

    def _init_Imports(self):
        '''import all the G2phase*.py & G2sfact*.py & G2pwd*.py files that 
        are found in the path
        '''

        self.ImportPhaseReaderlist = G2fil.LoadImportRoutines('phase','Phase')
        self.ImportSfactReaderlist = G2fil.LoadImportRoutines('sfact','Struct_Factor')
        self.ImportPowderReaderlist = G2fil.LoadImportRoutines('pwd','Powder_Data')
        self.ImportSmallAngleReaderlist = G2fil.LoadImportRoutines('sad','SmallAngle_Data')
        self.ImportReflectometryReaderlist = G2fil.LoadImportRoutines('rfd','Reflectometry_Data')
        self.ImportPDFReaderlist = G2fil.LoadImportRoutines('pdf','PDF_Data')
        self.ImportImageReaderlist = G2fil.LoadImportRoutines('img','Images')
        self.ImportMenuId = {}

    def testSeqRefineMode(self):
        '''Returns the list of histograms included in a sequential refinement or
        an empty list if a standard (non-sequential) refinement.
        Also sets Menu item status depending on mode
        '''
        cId = GetGPXtreeItemId(self,self.root, 'Controls')
        if cId:
            controls = self.GPXtree.GetItemPyData(cId)
            seqSetting = controls.get('Seq Data',[])
        else:
            seqSetting = None
            
        for item in self.Refine:
            if 'Le Bail' in item.GetItemLabel() or 'partials' in item.GetItemLabel() :
                item.Enable(not seqSetting)
            elif seqSetting:
                item.SetItemLabel('Se&quential refine\tCtrl+R')    #might fail on old wx
            else:
                item.SetItemLabel('&Refine\tCtrl+R')    #might fail on old wx
        if seqSetting:
            seqMode = True
        else:
            seqMode = False
        for menu,Id in self.ExportSeq:
            menu.Enable(Id,seqMode)
        for menu,Id in self.ExportNonSeq:
            menu.Enable(Id,not seqMode)
        return seqSetting
        
    def PreviewFile(self,filename):
        'utility to confirm we have the right file'
        fp = open(filename,'r')
        rdmsg = u'File '+ filename +u' begins:\n\n'
        try:
            rdmsg += fp.read(80)
            rdmsg += '\n\nDo you want to read this file?'
        except UnicodeDecodeError:
            rdmsg = None
        fp.close()
        if rdmsg is None or not all([ord(c) < 128 and ord(c) != 0 for c in rdmsg]): # show only if ASCII
            rdmsg = u'File '+ filename +u' is a binary file. Do you want to read this file?'
        # it would be better to use something that
        # would resize better, but this will do for now
        dlg = wx.MessageDialog(self, rdmsg,'Is this the file you want?',wx.YES_NO|wx.ICON_QUESTION)
        dlg.SetSize((700,300)) # does not resize on Mac
        result = wx.ID_NO
        try:
            result = dlg.ShowModal()
        finally:
            dlg.Destroy()
        if result == wx.ID_NO: return True
        return False
    
    def OnImportGeneric(self,reader,readerlist,label,multiple=False,
        usedRanIdList=[],Preview=True,load2Tree=False):
        '''Used for all imports, including Phases, datasets, images...

        Called from :meth:`GSASII.OnImportPhase`, :meth:`GSASII.OnImportImage`,
        :meth:`GSASII.OnImportSfact`, :meth:`GSASII.OnImportPowder`,
        :meth:`GSASII.OnImportSmallAngle` and :meth:'GSASII.OnImportReflectometry`

        Uses reader_objects subclassed from :class:`GSASIIobj.ImportPhase`,
        :class:`GSASIIobj.ImportStructFactor`,
        :class:`GSASIIobj.ImportPowderData`,
        :class:`GSASIIobj.ImportSmallAngleData`
        :class:`GSASIIobj.ImportReflectometryData` or
        :class:`GSASIIobj.ImportImage`.
        If a specific reader is specified, only that method will be called,
        but if no reader is specified, every one that is potentially
        compatible (by file extension) will be tried on the file(s)
        selected in the Open File dialog.

        :param reader_object reader: This will be a reference to
          a particular object to be used to read a file or None,
          if every appropriate reader should be used.

        :param list readerlist: a list of reader objects appropriate for
          the current read attempt. At present, this will be either
          self.ImportPhaseReaderlist, self.ImportSfactReaderlist
          self.ImportPowderReaderlist or self.ImportImageReaderlist
          (defined in _init_Imports from the files found in the path),
          but in theory this list could be tailored.
          Used only when reader is None.

        :param str label: string to place on the open file dialog:
          Open `label` input file

        :param bool multiple: True if multiple files can be selected
          in the file dialog. False is default. At present True is used
          only for reading of powder data.

        :param list usedRanIdList: an optional list of random Ids that 
          have been used and should not be reused

        :param bool Preview: indicates if a preview of the file should
          be shown. Default is True, but set to False for image files
          which are all binary.

        :param bool load2Tree: indicates if the file should be loaded
          into the data tree immediately (used for images only). True
          only when called from :meth:`OnImportImage`; causes return
          value to change to a list of True values rather than
          reader objects.

        :returns: a list of reader objects (rd_list) that were able
          to read the specified file(s). This list may be empty. 
        '''
        self.lastimport = ''
        self.zipfile = None
        singlereader = True
        if reader is None:
            singlereader = False
            multiple = False
            #print "use all formats"
            choices = "any file (*.*)|*.*"
            choices += "|zip archive (.zip)|*.zip"
            extdict = {}
            # compile a list of allowed extensions
            for rd in readerlist:
                fmt = rd.formatName
                for extn in rd.extensionlist:
                    if not extdict.get(extn): extdict[extn] = []
                    extdict[extn] += [fmt,]
            for extn in sorted(extdict.keys(),key=lambda k: k.lower()):
                fmt = ''
                for f in extdict[extn]:
                    if fmt != "": fmt += ', '
                    fmt += f
                choices += "|" + fmt + " file (*" + extn + ")|*" + extn
        else:
            readerlist = [reader,]
            # compile a list of allowed extensions
            choices = reader.formatName + " file ("
            w = ""
            for extn in reader.extensionlist:
                if w != "": w += ";"
                w += "*" + extn
            choices += w + ")|" + w
            choices += "|zip archive (.zip)|*.zip"
            if not reader.strictExtension:
                choices += "|any file (*.*)|*.*"
        # get the file(s)
        if multiple:
            mode = wx.FD_OPEN|wx.FD_MULTIPLE
        else:
            mode = wx.FD_OPEN
        if len(readerlist) > 1: 
            typ = ' (type to be guessed)'
        else:
            typ = '( type '+readerlist[0].formatName+')'
        filelist = G2G.GetImportFile(self,message="Choose "+label+" input file"+typ,
            defaultFile="",wildcard=choices,style=mode)
        rd_list = []
        filelist1 = []
        for filename in filelist:
            # is this a zip file?
            if os.path.splitext(filename)[1].lower() == '.zip':
                extractedfiles = G2IO.ExtractFileFromZip(
                    filename,parent=self,
                    multipleselect=True)
                if extractedfiles is None: continue # error or Cancel 
                if extractedfiles != filename:
                    self.zipfile = filename # save zip name
                    filelist1 += extractedfiles
                    continue
            filelist1.append(filename)
        filelist = filelist1
        Start = True    #1st time read - clear selections below
        for filename in filelist:
            # is this a zip file?
            if os.path.splitext(filename)[1].lower() == '.zip':
                extractedfile = G2IO.ExtractFileFromZip(filename,parent=self)
                if extractedfile is None: continue # error or Cancel 
                if extractedfile != filename:
                    filename,self.zipfile = extractedfile,filename # now use the file that was created
            # determine which formats are compatible with this file
            primaryReaders = []
            secondaryReaders = []
            for rd in readerlist:
                flag = rd.ExtensionValidator(filename)
                if flag is None: 
                    secondaryReaders.append(rd)
                elif flag:
                    primaryReaders.append(rd)
            if len(secondaryReaders) + len(primaryReaders) == 0 and reader:
                self.ErrorDialog('Not supported','The selected reader cannot read file '+filename)
                return []
            elif len(secondaryReaders) + len(primaryReaders) == 0:
                self.ErrorDialog('No Format','No matching format for file '+filename)
                return []

            fp = None
            msg = ''
            if len(filelist) == 1 and Preview:
                if self.PreviewFile(filename): return []
            self.lastimport = filename # this is probably not what I want to do -- it saves only the
            # last name in a series. See rd.readfilename for a better name.

            # try the file first with Readers that specify the
            # file's extension and later with ones that merely allow it
            errorReport = ''
            for rd in primaryReaders+secondaryReaders:
                if Start:   #clear old bank selections to allow new ones to be selected by user
                    rd.selections = []
                    rd.dnames = []
                rd.ReInitialize() # purge anything from a previous read
                rd.errors = "" # clear out any old errors
                if not rd.ContentsValidator(filename): # rejected on cursory check
                    errorReport += "\n  "+rd.formatName + ' validator error'
                    if rd.errors: 
                        errorReport += ': '+rd.errors
                    continue
                if len(rd.selections)>1 and Start:
                    dlg = G2G.G2MultiChoiceDialog(self,'Dataset Selector','Select data to read from the list below',rd.dnames)
                    if dlg.ShowModal() == wx.ID_OK:
                        rd.selections = dlg.GetSelections()
                    Start = False
                    dlg.Destroy()
                repeat = True
                rdbuffer = {} # create temporary storage for file reader
                block = 0
                while repeat: # loop if the reader asks for another pass on the file
                    block += 1
                    repeat = False
                    rd.objname = os.path.basename(filename)
                    flag = False
                    if GSASIIpath.GetConfigValue('debug'): # allow exceptions for debugging
                        flag = rd.Reader(filename,self,buffer=rdbuffer,blocknum=block,
                            usedRanIdList=usedRanIdList,)
                    else:
                        try:
                            flag = rd.Reader(filename,self,buffer=rdbuffer,
                                blocknum=block,usedRanIdList=usedRanIdList,)
                        except rd.ImportException as detail:
                            rd.errors += "\n  Read exception: "+str(detail)
                        except Exception as detail:
                            import traceback
                            rd.errors += "\n  Unhandled read exception: "+str(detail)
                            rd.errors += "\n  Traceback info:\n"+str(traceback.format_exc())
                    if flag: # this read succeeded
                        if rd.SciPy:        #was default read by scipy; needs 1 time fixes
                            G2IO.EditImageParms(self,rd.Data,rd.Comments,rd.Image,filename)
                            rd.SciPy = False
                        rd.readfilename = filename
                        if load2Tree:   #images only
                            if rd.repeatcount == 1 and not rd.repeat: # skip image number if only one in set
                                rd.Data['ImageTag'] = None
                            else:
                                rd.Data['ImageTag'] = rd.repeatcount
                            rd.Data['formatName'] = rd.formatName
                            if rd.sumfile:
                                rd.readfilename = rd.sumfile
                            # Load generic metadata, as configured
                            G2fil.GetColumnMetadata(rd)
                            G2IO.LoadImage2Tree(rd.readfilename,self,rd.Comments,rd.Data,rd.Npix,rd.Image)
                            rd_list.append(True) # save a stub the result before it is written over
                            del rd.Image
                        else:                                                   
                            rd_list.append(copy.deepcopy(rd)) # save the result before it is written over
                        if rd.repeat:
                            repeat = True
                        continue
                    errorReport += '\n'+rd.formatName + ' read error'
                    if rd.errors:
                        errorReport += ': '+rd.errors
                if rd_list: # read succeeded, was there a warning or any errors? 
                    if rd.warnings:
                        self.ErrorDialog('Read Warning','The '+ rd.formatName+
                            ' reader reported a warning message:\n\n'+rd.warnings)
                    break # success in reading, try no further
            else:
                if singlereader:
                    msg += '\n'+rd.warnings
                    print(u'The '+ rd.formatName+u' reader was not able to read file '+filename+msg)
                    try:
                        print(u'\n\nError message(s):\n\t'+errorReport)
                    except:
                        pass
                    self.ErrorDialog('Read Error','The '+ rd.formatName+
                        ' reader was not able to read file '+filename+msg)
                else:
                    print('No reader was able to read file '+filename+msg)
                    try:
                        print('\n\nError message(s):\n\t'+errorReport)
                    except:
                        pass
                    self.ErrorDialog('Read Error','No reader was able to read file '+filename+msg)
            if fp: fp.close()
        return rd_list

    def _Add_ImportMenu_Phase(self,parent):
        '''configure the Import Phase menus accord to the readers found in _init_Imports
        '''
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu,'Phase','Import phase data')
        for reader in self.ImportPhaseReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportPhase, id=item.GetId())
        item = submenu.Append(wx.ID_ANY,'guess format from file','Import phase data, use file to try to determine format')
        self.Bind(wx.EVT_MENU, self.OnImportPhase, id=item.GetId())
        
    def OnImportPhase(self,event):
        '''Called in response to an Import/Phase/... menu item
        to read phase information.
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.
        '''
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())
        
        # make a list of phase names, ranId's and the histograms used in those phases
        phaseRIdList,usedHistograms = self.GetPhaseInfofromTree()
        phaseNameList = list(usedHistograms.keys()) # phase names in use
        usedHKLFhists = [] # used single-crystal histograms
        for p in usedHistograms:
            for h in usedHistograms[p]:
                if h.startswith('HKLF ') and h not in usedHKLFhists:
                    usedHKLFhists.append(h)
                      
        rdlist = self.OnImportGeneric(reqrdr,self.ImportPhaseReaderlist,
            'phase',usedRanIdList=phaseRIdList)
        if len(rdlist) == 0: return
        # for now rdlist is only expected to have one element
        # but below will allow multiple phases to be imported
        # if ever the import routines ever implement multiple phase reads. 
        self.CheckNotebook()
        newPhaseList = []
        for rd in rdlist:
            PhaseName = ''
            dlg = wx.TextEntryDialog(self, 'Enter the name for the new phase',
                'Edit phase name', rd.Phase['General']['Name'],style=wx.OK)
            while PhaseName == '':
                dlg.CenterOnParent()
                if dlg.ShowModal() == wx.ID_OK:
                    PhaseName = dlg.GetValue().strip()
                else:
                    dlg.Destroy()
                    return
            dlg.Destroy()
            # make new phase names unique
            rd.Phase['General']['Name'] = G2obj.MakeUniqueLabel(PhaseName,phaseNameList)
            if rd.Phase['General']['SGData']['SpGrp'] in G2spc.spg2origins:
                try:
                    choice = G2G.ChooseOrigin(self,rd)
                    if choice is None: return # dialog cancelled
                    rd.Phase = choice
                except:
                    print('ChooseOrigin failed. Check your atom types')
            PhaseName = rd.Phase['General']['Name'][:]
            newPhaseList.append(PhaseName)
            print(u'Read phase {} from file {}'.format(PhaseName,self.lastimport))
            sub = FindPhaseItem(self)
            psub = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
            self.GPXtree.SetItemPyData(psub,rd.Phase)
            wx.CallAfter(self.GPXtree.SelectItem,psub) # should call SelectDataTreeItem
            try:
                rd.MPhase['General']['Name'] = G2obj.MakeUniqueLabel(PhaseName+' mag',phaseNameList)
                PhaseName = rd.MPhase['General']['Name'][:]
                newPhaseList.append(PhaseName)
                psub = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
                self.GPXtree.SetItemPyData(psub,rd.MPhase)
                wx.CallAfter(self.GPXtree.SelectItem,psub) # should call SelectDataTreeItem
            except (AttributeError,TypeError):
                pass
            self.GPXtree.Expand(self.root) # make sure phases are seen
            self.GPXtree.Expand(sub) 
            self.GPXtree.Expand(psub)
            self.PickIdText = None
            
            # add constraints imported with phase to tree
            #    at present, constraints are generated only in ISODISTORT_proc in the
            #    CIF import
            if rd.Constraints:
                sub = GetGPXtreeItemId(self,self.root,'Constraints') # was created in CheckNotebook if needed
                Constraints = self.GPXtree.GetItemPyData(sub)                
                for i in rd.Constraints:
                    if type(i) is dict:
                        if '_Explain' not in Constraints: Constraints['_Explain'] = {}
                        Constraints['_Explain'].update(i)
                    else:
                        Constraints['Phase'].append(i)
        if not newPhaseList: return # somehow, no new phases
        # get a list of existing histograms
        PWDRlist = []
        HKLFlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('PWDR ') and name not in PWDRlist:
                    PWDRlist.append(name)
                if name.startswith('HKLF ') and name not in HKLFlist:
                    HKLFlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        TextList = PWDRlist + HKLFlist
        if not TextList:
            Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree() # reindex
            return          #no histograms
        header = 'Select histogram(s) to add to new phase(s):'
        for phaseName in newPhaseList:
            header += '\n  '+phaseName

        notOK = True
        while notOK:
            result = G2G.ItemSelector(TextList,self,header,header='Add histogram(s)',multiple=True)
            if not result: 
                Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree() # reindex
                return
            # check that selected single crystal histograms are not already in use!
            used = [TextList[i] for i in result if TextList[i] in usedHKLFhists]
            #for i in result:
            #    if TextList[i] in usedHKLFhists: used.append(TextList[i])
            if used:
                msg = 'The following single crystal histogram(s) are already in use'
                for i in used:
                    msg += '\n  '+str(i)
                msg += '\nAre you sure you want to add them to this phase? '
                msg += 'Associating a single crystal dataset to >1 histogram is usually an error, '
                msg += 'so No is suggested here.'
                if self.ErrorDialog('Likely error',msg,self,wtype=wx.YES_NO) == wx.ID_YES: notOK = False
            else:
                notOK = False
        # connect new phases to histograms
        sub = GetGPXtreeItemId(self,self.root,'Phases')
        if not sub:
            raise Exception('ERROR -- why are there no phases here?')
        wx.BeginBusyCursor()
        item, cookie = self.GPXtree.GetFirstChild(sub)
        while item: # loop over (new) phases
            phaseName = self.GPXtree.GetItemText(item)
            data = self.GPXtree.GetItemPyData(item)
            item, cookie = self.GPXtree.GetNextChild(sub, cookie)
            if phaseName not in newPhaseList: continue
            generalData = data['General']
            SGData = generalData['SGData']
            Super = generalData.get('Super',0)
            SuperVec = []
            if Super:
                SuperVec = np.array(generalData['SuperVec'][0])
            UseList = data['Histograms']
            NShkl = len(G2spc.MustrainNames(SGData))
            NDij = len(G2spc.HStrainNames(SGData))
            for i in result:
                histoName = TextList[i]
                if histoName in HKLFlist:
                    #redo UpdateHKLFdata(histoName) here:
                    Id = GetGPXtreeItemId(self,self.root,histoName)
                    refDict,reflData = self.GPXtree.GetItemPyData(Id)
                    G,g = G2lat.cell2Gmat(generalData['Cell'][1:7])
                    Super = reflData.get('Super',0)
                    for iref,ref in enumerate(reflData['RefList']):
                        hkl = ref[:3]
                        if Super:
                            H = list(hkl+SuperVec*ref[3])
                        else:
                            H = hkl
                        ref[4+Super] = np.sqrt(1./G2lat.calc_rDsq2(H,G))
                        iabsnt = G2spc.GenHKLf(H,SGData)[0]
                        if iabsnt:  #flag space gp. absences
                            if Super: 
                                if not ref[2+Super]:
                                    ref[3+Super] = 0
                                else:
                                    ref[3+Super] = 1    #twin id
                            else:
                                ref[3] = 0
                    UseList[histoName] = SetDefaultDData(reflData['Type'],histoName)
                elif histoName in PWDRlist:
                    Id = GetGPXtreeItemId(self,self.root,histoName)
                    Inst = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,Id,'Instrument Parameters'))[0]
                    refList = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,Id,'Reflection Lists'))
                    refList[generalData['Name']] = {}
                    UseList[histoName] = SetDefaultDData(Inst['Type'][0],histoName,NShkl=NShkl,NDij=NDij)
                else:
                    raise Exception('Unexpected histogram '+histoName)
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree() # reindex
        wx.EndBusyCursor()
        self.EnableRefineCommand()
        
        return # success
        
    def _Add_ImportMenu_Image(self,parent):
        '''configure the Import Image menus accord to the readers found in _init_Imports
        '''
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu, 'Image','Import image file')
        for reader in self.ImportImageReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportImage, id=item.GetId())
        item = submenu.Append(wx.ID_ANY,'guess format from file','Import image data, use file to try to determine format')
        self.Bind(wx.EVT_MENU, self.OnImportImage, id=item.GetId())
        
    def OnImportImage(self,event):
        '''Called in response to an Import/Image/... menu item
        to read an image from a file. Like all the other imports,
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.

        A reader object is filled each time an image is read. 
        '''
        self.CheckNotebook()
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())
        rdlist = self.OnImportGeneric(reqrdr,self.ImportImageReaderlist,
            'image',multiple=True,Preview=False,load2Tree=True)
        if rdlist: 
            self.GPXtree.SelectItem(GetGPXtreeItemId(self,self.Image,'Image Controls'))             #show last image to have beeen read
                    
    def _Add_ImportMenu_Sfact(self,parent):
        '''configure the Import Structure Factor menus accord to the readers found in _init_Imports
        '''
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu,'Structure Factor','Import Structure Factor data')
        for reader in self.ImportSfactReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)               
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportSfact, id=item.GetId())
        item = submenu.Append(wx.ID_ANY,'guess format from file','Import Structure Factor, use file to try to determine format')
        self.Bind(wx.EVT_MENU, self.OnImportSfact, id=item.GetId())

    def OnImportSfact(self,event):
        '''Called in response to an Import/Structure Factor/... menu item
        to read single crystal datasets. 
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.
        '''
        # get a list of existing histograms
        HKLFlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('HKLF ') and name not in HKLFlist:
                    HKLFlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())
        rdlist = self.OnImportGeneric(reqrdr,self.ImportSfactReaderlist,
            'Structure Factor',multiple=True)
        if len(rdlist) == 0: return
        self.CheckNotebook()
        newHistList = []
        for rd in rdlist:
            HistName = rd.objname
            if len(rdlist) <= 2: 
                dlg = wx.TextEntryDialog( # allow editing of Structure Factor name
                    self, 'Enter the name for the new Structure Factor',
                    'Edit Structure Factor name', HistName,
                    style=wx.OK)
                dlg.CenterOnParent()
                if dlg.ShowModal() == wx.ID_OK:
                    HistName = dlg.GetValue()
                dlg.Destroy()
            HistName = 'HKLF '+G2obj.StripUnicode(HistName,'_')
            # make new histogram names unique
            if len(rd.Banks):
                for Bank in rd.Banks:
                    valuesdict = {'wtFactor':1.0,'Dummy':False,'ranId':ran.randint(0,sys.maxsize),}
                    HistName = G2obj.MakeUniqueLabel(HistName,HKLFlist)
                    print (u'Read structure factor table '+HistName+u' from file '+self.lastimport)
                    Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
                    if not Bank['RefDict'].get('FF'):
                        Bank['RefDict']['FF'] = {}
                    self.GPXtree.SetItemPyData(Id,[valuesdict,Bank['RefDict']])
                    Sub = self.GPXtree.AppendItem(Id,text='Instrument Parameters')
                    self.GPXtree.SetItemPyData(Sub,copy.copy(rd.Parameters))
                    self.GPXtree.SetItemPyData(
                        self.GPXtree.AppendItem(Id,text='Reflection List'),{})  #dummy entry for GUI use
                    newHistList.append(HistName)
            else:
                valuesdict = {'wtFactor':1.0,'Dummy':False,'ranId':ran.randint(0,sys.maxsize),}
                HistName = G2obj.MakeUniqueLabel(HistName,HKLFlist)
                print (u'Read structure factor table '+HistName+u' from file '+self.lastimport)
                if not rd.RefDict.get('FF'):
                    rd.RefDict['FF'] = {}
                Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
                self.GPXtree.SetItemPyData(Id,[valuesdict,rd.RefDict])
                Sub = self.GPXtree.AppendItem(Id,text='Instrument Parameters')
                self.GPXtree.SetItemPyData(Sub,rd.Parameters)
                self.GPXtree.SetItemPyData(
                    self.GPXtree.AppendItem(Id,text='Reflection List'),{})  #dummy entry for GUI use
                newHistList.append(HistName)
                
            self.GPXtree.SelectItem(Id)
            self.GPXtree.Expand(Id)
            self.Sngl = True

        if not newHistList: return # somehow, no new histograms
        # make a list of phase names
        phaseRIdList,usedHistograms = self.GetPhaseInfofromTree()
        phaseNameList = list(usedHistograms.keys()) # phase names in use
        if not phaseNameList: return # no phases yet, nothing to do
        header = 'Select phase(s) to add the new\nsingle crystal dataset(s) to:'
        for Name in newHistList:
            header += '\n  '+str(Name)
        result = G2G.ItemSelector(phaseNameList,self,header,header='Add to phase(s)',multiple=True)
        if not result: return
        # connect new phases to histograms
        sub = GetGPXtreeItemId(self,self.root,'Phases')
        if not sub:
            raise Exception('ERROR -- why are there no phases here?')
        wx.BeginBusyCursor()
        item, cookie = self.GPXtree.GetFirstChild(sub)
        iph = -1
        while item: # loop over (new) phases
            iph += 1
            data = self.GPXtree.GetItemPyData(item)
            item, cookie = self.GPXtree.GetNextChild(sub, cookie)
            if iph not in result: continue
            generalData = data['General']
            SGData = generalData['SGData']
            Super = generalData.get('Super',0)
            SuperVec = []
            if Super:
                SuperVec = np.array(generalData['SuperVec'][0])
            UseList = data['Histograms']
            for histoName in newHistList:
                #redo UpdateHKLFdata(histoName) here:
                Id = GetGPXtreeItemId(self,self.root,histoName)
                refDict,reflData = self.GPXtree.GetItemPyData(Id)
                UseList[histoName] = SetDefaultDData(reflData['Type'],histoName)
                G,g = G2lat.cell2Gmat(generalData['Cell'][1:7])
                if 'TwMax' in reflData:     #nonmerohedral twins present
                    UseList[histoName]['Twins'] = []
                    for iT in range(reflData['TwMax'][0]+1):
                        if iT in reflData['TwMax'][1]:
                            UseList[histoName]['Twins'].append([False,0.0])
                        else:
                            UseList[histoName]['Twins'].append([np.array([[1,0,0],[0,1,0],[0,0,1]]),[1.0,False,reflData['TwMax'][0]]])
                else:   #no nonmerohedral twins
                    UseList[histoName]['Twins'] = [[np.array([[1,0,0],[0,1,0],[0,0,1]]),[1.0,False,0]],]
                for iref,ref in enumerate(reflData['RefList']):
                    hkl = ref[:3]
                    if Super:
                        H = list(hkl+SuperVec*ref[3])
                    else:
                        H = hkl
                    ref[4+Super] = np.sqrt(1./G2lat.calc_rDsq2(H,G))
                    iabsnt,mul,Uniq,phi = G2spc.GenHKLf(H,SGData)
                    if iabsnt:  #flag space gp. absences
                        if Super: 
                            if not ref[2+Super]:
                                ref[3+Super] = 0
                            else:
                                ref[3+Super] = 1    #twin id?
                        else:
                            ref[3] = 0
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree() # reindex
        wx.EndBusyCursor()
        self.EnableRefineCommand()        
        return # success

    def _Add_ImportMenu_powder(self,parent):
        '''configure the Powder Data menus accord to the readers found in _init_Imports
        '''
        def OnAutoImport(event):
            G2G.AutoLoadFiles(self,FileTyp='pwd')
            
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu,'Powder Data','Import Powder data')
        for reader in self.ImportPowderReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportPowder, id=item.GetId())
        item = submenu.Append(wx.ID_ANY,'guess format from file','Import powder data, use file to try to determine format')
        self.Bind(wx.EVT_MENU, self.OnImportPowder, id=item.GetId())
        submenu.AppendSeparator()
        item = submenu.Append(wx.ID_ANY,'Simulate a dataset','Create a powder data set entry that will be simulated')
        self.Bind(wx.EVT_MENU, self.OnDummyPowder, id=item.GetId())
        item = submenu.Append(wx.ID_ANY,'Auto Import','Import data files as found')
        self.Bind(wx.EVT_MENU, OnAutoImport, id=item.GetId())
        
        item = submenu.Append(wx.ID_ANY,'Fit instr. profile from fundamental parms...','')
        self.Bind(wx.EVT_MENU, self.OnPowderFPA, id=item.GetId())
        
    def OpenPowderInstprm(self,instfile):
        '''Read a GSAS-II (new) instrument parameter file

        :param str instfile: name of instrument parameter file

        '''
        File = open(instfile,'r')
        lines = File.readlines()
        File.close()
        return lines        
           
    def ReadPowderInstprm(self,instLines,bank,databanks,rd):
        '''Read lines from a GSAS-II (new) instrument parameter file
        similar to G2pwdGUI.OnLoad
        If instprm file has multiple banks each with header #Bank n: ..., this 
        finds matching bank no. to load - problem with nonmatches?

        Note that this routine performs a similar role to :func:`GSASIIfiles.ReadPowderInstprm`,
        but this will call a GUI routine for selection when needed. TODO: refactor to combine

        :param list instLines: strings from GSAS-II parameter file; can be concatenated with ';'
        :param int  bank: bank number to check when instprm file has '#BANK n:...' strings
            when bank = n then use parameters; otherwise skip that set. Ignored if BANK n: 
            not present. NB: this kind of instprm file made by a Save all profile command in Instrument Parameters 
        :return dict: Inst  instrument parameter dict if OK, or
                str: Error message if failed    
        '''
        if 'GSAS-II' not in instLines[0]: # not a valid file
            return 'Not a valid GSAS-II instprm file'
        newItems = []
        newVals = []
        Found = False
        il = 0
        if bank is None: # no bank was specified in the input file, is more than one present in file?
            banklist = set([])
            for S in instLines:
                if S[0] == '#' and 'Bank' in S:
                    banklist.add(int(S.split(':')[0].split()[1]))
            if len(banklist) > 1: # yes, the user must make a selection
                choices = [str(i) for i in banklist]
                bank = int(G2G.ItemSelector(choices,self,multiple=False))
            else:
                bank = 1
            rd.powderentry[2] = bank
        while il < len(instLines):
            S = instLines[il]
            if S[0] == '#':
                if Found:
                    break
                if 'Bank' in S:
                    if bank == int(S.split(':')[0].split()[1]):
                        il += 1
                        S = instLines[il]
                    else:
                        il += 1
                        S = instLines[il]
                        while il < len(instLines) and '#Bank' not in S:
                            il += 1
                            if il == len(instLines):
                                return 'Bank %d not found in instprm file'%(bank)
                            S = instLines[il]
                        continue
                else:   #a non #Bank file
                    il += 1
                    S = instLines[il]
            Found = True
            if '"""' in S:
                delim = '"""' 
            elif "'''" in S:
                delim = "'''"
            else:
                S = S.replace(' ','')
                SS = S.strip().split(';')
                for s in SS:
                    [item,val] = s.split(':',1)
                    newItems.append(item)
                    try:
                        newVals.append(float(val))
                    except ValueError:
                        newVals.append(val)
                il += 1
                continue
            # read multiline values, delimited by ''' or """
            item,val = S.strip().split(':',1)
            val = val.replace(delim,'').rstrip()
            val += '\n'
            while True:
                il += 1
                if il >= len(instLines): break
                S = instLines[il]
                if delim in S:
                    val += S.replace(delim,'').rstrip()
                    val += '\n'
                    break
                else:
                    val += S.rstrip()
                    val += '\n'
            newItems.append(item)
            newVals.append(val)
            il += 1
        if 'Lam1' in newItems:
            rd.Sample.update({'Type':'Bragg-Brentano','Shift':[0.,False],'Transparency':[0.,False],
                'SurfRoughA':[0.,False],'SurfRoughB':[0.,False]})
        else:
            rd.Sample.update({'Type':'Debye-Scherrer','Absorption':[0.,False],'DisplaceX':[0.,False],'DisplaceY':[0.,False]})
        return [G2fil.makeInstDict(newItems,newVals,len(newVals)*[False,]),{}]
        
    def ReadPowderIparm(self,instfile,bank,databanks,rd):
        '''Read a GSAS (old) instrument parameter file

        :param str instfile: name of instrument parameter file
        :param int bank: the bank number read in the raw data file
        :param int databanks: the number of banks in the raw data file.
          If the number of banks in the data and instrument parameter files
          agree, then the sets of banks are assumed to match up and bank
          is used to select the instrument parameter file. If not and not TOF, 
          the user is asked to make a selection.
        :param obj rd: the raw data (histogram) data object. This
          sets rd.instbank.

        '''
        if not os.path.exists(instfile): # no such file
            return {}
        fp = 0
        try:
            fp = open(instfile,'r')
            Iparm = {}
            for S in fp:
                if '#' in S[0]:
                    continue
                Iparm[S[:12]] = S[12:-1]
        except IOError:
            print(u'Error reading file: {}'.format(instfile))
        if fp:        
            fp.close()

        ibanks = int(Iparm.get('INS   BANK  ','1').strip())
        if ibanks == 1: # there is only one bank here, return it
            rd.instbank = 1
            rd.powderentry[2] = 1
            return Iparm
        if 'PNT' in Iparm['INS   HTYPE ']:      #allow mismatch between banks in data  iparm file for TOF
            rd.instbank = bank
        elif ibanks != databanks or bank is None:
            choices = []
            for i in range(1,1+ibanks):
                choices.append('Bank '+str(i))
            bank = 1 + G2G.BlockSelector(
                choices, self,
                title=u'Select an instrument parameter bank for '+
                os.path.split(rd.powderentry[0])[1]+u' BANK '+str(bank)+
                u'\nOr use Cancel to select from the default parameter sets',
                header='Block Selector')
        if bank is None: return {}
        # pull out requested bank # bank from the data, and change the bank to 1
        IparmS = {}
        for key in Iparm:
            if 'INS' in key[:3]:    #skip around rubbish lines in some old iparm files
                if key[4:6] == "  ":
                    IparmS[key] = Iparm[key]
                elif int(key[4:6].strip()) == bank:
                    IparmS[key[:4]+' 1'+key[6:]] = Iparm[key]
        rd.instbank = bank
        return IparmS
                        
    def GetPowderIparm(self,rd, prevIparm, lastIparmfile, lastdatafile):
        '''Open and read an instrument parameter file for a data file
        Returns the list of parameters used in the data tree

        :param obj rd: the raw data (histogram) data object.

        :param str prevIparm: not used

        :param str lastIparmfile: Name of last instrument parameter
          file that was read, or a empty string. 

        :param str lastdatafile: Name of last data file that was read.

        :returns: a list of two dicts, the first containing instrument parameters
          and the second used for TOF lookup tables for profile coeff.
        '''
                
        def GetDefaultParms(self,rd):
            '''Solicits from user a default set of parameters & returns Inst parm dict
            param: self: refers to the GSASII main class
            param: rd: importer data structure
            returns: dict: Instrument parameter dictionary
            '''       
            sind = lambda x: math.sin(x*math.pi/180.)
            tand = lambda x: math.tan(x*math.pi/180.)
            while True: # loop until we get a choice
                choices = []
                head = 'Select from default instrument parameters for '+rd.idstring
    
                for l in dI.defaultIparm_lbl:
                    choices.append('Defaults for '+l)
                res = G2G.BlockSelector(choices,ParentFrame=self,title=head,
                    header='Select default inst parms',useCancel=True)
                if res is None: return None
                rd.instfile = ''
                if 'lab data' in choices[res]:
                    rd.Sample.update({'Type':'Bragg-Brentano','Shift':[0.,False],'Transparency':[0.,False],
                        'SurfRoughA':[0.,False],'SurfRoughB':[0.,False]})
                else:
                    rd.Sample.update({'Type':'Debye-Scherrer','Absorption':[0.,False],'DisplaceX':[0.,False],
                        'DisplaceY':[0.,False]})
                if 'Generic' in choices[res]:
                    dlg = G2G.MultiDataDialog(self,title='Generic TOF detector bank',
                        prompts=['Total FP','2-theta',],values=[25.0,150.,],
                            limits=[[6.,200.],[5.,175.],],formats=['%6.2f','%6.1f',])
                    if dlg.ShowModal() == wx.ID_OK: #strictly empirical approx.
                        FP,tth = dlg.GetValues()
                        difC = 505.632*FP*sind(tth/2.)
                        sig1 = 50.+2.5e-6*(difC/tand(tth/2.))**2
                        bet1 = .00226+7.76e+11/difC**4
                        rd.instmsg = 'default: '+dI.defaultIparm_lbl[res]
                        Inst = self.ReadPowderInstprm(dI.defaultIparms[res],bank,numbanks,rd)
                        Inst[0]['difC'] = [difC,difC,0]
                        Inst[0]['sig-1'] = [sig1,sig1,0]
                        Inst[0]['beta-1'] = [bet1,bet1,0]
                        return Inst    #this is [Inst1,Inst2] a pair of dicts
                    dlg.Destroy()
                else:
                    rd.instmsg = 'default: '+dI.defaultIparm_lbl[res]
                    inst1,inst2 = self.ReadPowderInstprm(dI.defaultIparms[res],bank,numbanks,rd)
                    if rd.instdict.get('wave'):
                        inst1['Lam'][0] = rd.instdict.get('wave')
                        inst1['Lam'][1] = rd.instdict.get('wave')
                    return [inst1,inst2]

        # stuff we might need from the reader
        filename = rd.powderentry[0]
        bank = rd.powderentry[2]
        numbanks = rd.numbanks
        #1st priority: is there an instrument parameter file matching the current file
        # with extension .instprm, .prm, .inst, or .ins? If so read it
        basename = os.path.splitext(filename)[0]
        for ext in '.prm','.inst','.ins','.instprm':
            if self.zipfile:
                instfile = G2IO.ExtractFileFromZip(self.zipfile,
                    selection=os.path.split(basename + ext)[1],parent=self)
                if instfile == None:
                    continue
            else:
                instfile = basename + ext
            if not os.path.exists(instfile):
                continue
            if 'instprm' in instfile:
                Lines = self.OpenPowderInstprm(instfile)
                instParmList = self.ReadPowderInstprm(Lines,bank,numbanks,rd)    #this is [Inst1,Inst2] a pair of dicts
                if 'list' in str(type(instParmList)):
                    rd.instfile = instfile
                    rd.instmsg = 'GSAS-II file '+instfile
                    return instParmList
                else:
                    #print 'debug: open/read failed',instfile
                    pass # fail silently
            else:
                Iparm = self.ReadPowderIparm(instfile,bank,numbanks,rd)
                if Iparm:
                    #print 'debug: success'
                    rd.instfile = instfile
                    rd.instmsg = instfile + ' bank ' + str(rd.instbank)
                    return G2fil.SetPowderInstParms(Iparm,rd)
                else:
                    #print 'debug: open/read failed',instfile
                    pass # fail silently

        #2nd priority: is there an instrument parameter file defined for the current data set?
        # or if this is a read on a set of set of files, use the last one again
        #if rd.instparm as found in data file header or (lastdatafile == filename and lastIparmfile):
        if rd.instparm or lastIparmfile:
            if rd.instparm:
                instfile = os.path.join(os.path.split(filename)[0],rd.instparm)
            else:
                # for multiple reads of one data file, reuse the inst parm file
                instfile = lastIparmfile
#            if self.zipfile:
#                instfile = G2IO.ExtractFileFromZip(self.zipfile,
#                    selection=os.path.split(instfile)[1],parent=self)
            if instfile != None and os.path.exists(instfile):
                #print 'debug: try read',instfile
                if 'instprm' in instfile:   #GSAS-II file must have .instprm as extension
                    Lines = self.OpenPowderInstprm(instfile)
                    if Lines is not None:
                        instParmList = self.ReadPowderInstprm(Lines,bank,numbanks,rd)   #this is [Inst1,Inst2] a pair of dicts
                else:   #old GSAS style iparm file - could be named anything!
                    Iparm = self.ReadPowderIparm(instfile,bank,numbanks,rd)
                    if Iparm:
                        #print 'debug: success'
                        rd.instfile = instfile
                        rd.instmsg = instfile + ' bank ' + str(rd.instbank)
                        instParmList = G2fil.SetPowderInstParms(Iparm,rd)     #this is [Inst1,Inst2] a pair of dicts
                if 'list' in str(type(instParmList)):   #record stuff & return stuff
                    rd.instfile = instfile
                    rd.instmsg = 'GSAS-II file '+instfile
                    return instParmList
                else:   #bad iparms - try default
                    rd.instmsg = instParmList   #an error message
                    return GetDefaultParms(self,rd)
            else:
                self.ErrorDialog('Open Error',u'Error opening instrument parameter file '
                    +u'{} requested by file {}'.format(instfile,filename))
        #Finally - ask user for Instrument parametrs file - seems it can't be in a zip file
        while True: # loop until we get a file that works or we get a cancel
            instfile = ''
            pth = os.path.dirname(filename)     #look in same place data was found
#            pth = G2G.GetImportPath(self)
            if not pth: pth = '.'
            extOrd = [0,1]
            if GSASIIpath.GetConfigValue('Instprm_default',False):
                extOrd = [1,0]
            extList = ['GSAS iparm file (*.prm,*.inst,*.ins)|*.prm;*.inst;*.ins|','GSAS-II iparm file (*.instprm)|*.instprm|']
            dlg = wx.FileDialog(self,
                u'Choose inst. param file for "'+rd.idstring+u'" (or Cancel for default)',
                pth, '',extList[extOrd[0]]+extList[extOrd[1]]+'All files (*.*)|*.*', wx.FD_OPEN)
            if os.path.exists(lastIparmfile):
                dlg.SetFilename(os.path.split(lastIparmfile)[-1])
            if dlg.ShowModal() == wx.ID_OK:
                instfile = dlg.GetPath()
            dlg.Destroy()
            if not instfile: 
                return GetDefaultParms(self,rd) #on Cancel/break
            if 'instprm' in instfile:
                Lines = self.OpenPowderInstprm(instfile)
                if Lines is not None:
                    instParmList = self.ReadPowderInstprm(Lines,bank,numbanks,rd)    #this is [Inst1,Inst2] a pair of dicts
                if 'list' in str(type(instParmList)):
                    rd.instfile = instfile
                    rd.instmsg = 'GSAS-II file '+instfile
                    return instParmList
                else:
                    rd.instmsg = instParmList   #an error message
                    return GetDefaultParms(self,rd)
            else:
                Iparm = self.ReadPowderIparm(instfile,bank,numbanks,rd)
                if Iparm:
                    #print 'debug: success with',instfile
                    rd.instfile = instfile
                    rd.instmsg = instfile + ' bank ' + str(rd.instbank)
                    return G2fil.SetPowderInstParms(Iparm,rd)
                else:
                    self.ErrorDialog('Read Error',
                                     u'Error opening/reading file {}'.format(instfile))
    def EnableRefineCommand(self):
        '''Check that phases are connected to histograms - if so then Refine is enabled
        '''
        haveData = False
        sub = GetGPXtreeItemId(self,self.root,'Phases')
        if sub: 
            item, cookie = self.GPXtree.GetFirstChild(sub)
            while item: # loop over phases
                data = self.GPXtree.GetItemPyData(item)
                item, cookie = self.GPXtree.GetNextChild(sub, cookie)
                UseList = data['Histograms']
                if UseList: haveData = True
            if haveData:
                self.dataWindow.DataMenu.Enable(G2G.wxID_DATADELETE,True)
                for item in self.Refine: item.Enable(True)
        else:
            self.dataWindow.DataMenu.Enable(G2G.wxID_DATADELETE,False)
            for item in self.Refine: item.Enable(False)
        
    def OnImportPowder(self,event):
        '''Called in response to an Import/Powder Data/... menu item
        to read a powder diffraction data set. 
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.

        Also reads an instrument parameter file for each dataset.
        '''
        # get a list of existing histograms
        PWDRlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('PWDR ') and name not in PWDRlist:
                    PWDRlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())  
        rdlist = self.OnImportGeneric(
            reqrdr,self.ImportPowderReaderlist,'Powder Data',multiple=True)
        if len(rdlist) == 0: return
        self.CheckNotebook()
        Iparm = None
        lastIparmfile = ''
        lastdatafile = ''
        newHistList = []
#        lastVals = []
        self.EnablePlot = False
        Iparms = {}
        for rd in rdlist:
            if 'Instrument Parameters' in rd.pwdparms:
                Iparm1,Iparm2 = rd.pwdparms['Instrument Parameters']
            elif Iparms and not lastIparmfile:
                Iparm1,Iparm2 = Iparms
            else:
                # get instrument parameters for each dataset, unless already set
#                if lastIparmfile:  # is this histogram like previous?
#                    if lastVals != (rd.powderdata[0].min(),rd.powderdata[0].max(),len(rd.powderdata[0])):
#                        lastIparmfile = ''
                Iparms = self.GetPowderIparm(rd, Iparm, lastIparmfile, lastdatafile)
                if not Iparms:  #may have bailed out
                    Id = 0
                    continue
                Iparm1,Iparm2 = Iparms
                if rd.repeat_instparm: 
                    lastIparmfile = rd.instfile
                else:
                    Iparms = {}
#                    lastVals = (rd.powderdata[0].min(),rd.powderdata[0].max(),len(rd.powderdata[0]))
                # override any keys in read instrument parameters with ones set in import
                for key in Iparm1:  
                    if key in rd.instdict:
                        Iparm1[key] = rd.instdict[key]
            lastdatafile = rd.powderentry[0]
            if 'phoenix' in wx.version():
                HistName = 'PWDR '+rd.idstring
            else:
                HistName = 'PWDR '+G2obj.StripUnicode(rd.idstring,'_')
            # make new histogram names unique
            if HistName in PWDRlist:
                dlg = wx.MessageDialog(self,'Skip %s?'%(HistName),'Duplicate data name',wx.YES_NO)
                try:
                    if dlg.ShowModal() == wx.ID_YES:
                        Id = 0
                        continue
                finally:
                    dlg.Destroy()
            HistName = G2obj.MakeUniqueLabel(HistName,PWDRlist)
            try:
                print('Read powder data '+HistName+ 
                    ' from file '+G2obj.StripUnicode(rd.readfilename) +
                    ' (format: '+ rd.formatName + 
                    '). Inst parameters from '+G2obj.StripUnicode(rd.instmsg))
            except:
                print('Read powder data') 
            # data are read, now store them in the tree
            Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
            if 'T' in Iparm1['Type'][0]:
                if not rd.clockWd and rd.GSAS:
                    rd.powderdata[0] *= 100.        #put back the CW centideg correction
                cw = np.diff(rd.powderdata[0])
                rd.powderdata[0] = rd.powderdata[0][:-1]+cw/2.
                if rd.GSAS:     #NB: old GSAS wanted intensities*CW even if normalized!
                    npts = min(len(rd.powderdata[0]),len(rd.powderdata[1]),len(cw))
                    rd.powderdata[1] = rd.powderdata[1][:npts]/cw[:npts]
                    rd.powderdata[2] = rd.powderdata[2][:npts]*cw[:npts]**2  #1/var=w at this point
                else:       #NB: from topas/fullprof type files
                    rd.powderdata[1] = rd.powderdata[1][:-1]
                    rd.powderdata[2] = rd.powderdata[2][:-1]
                if 'Itype' in Iparm2:
                    Ibeg = np.searchsorted(rd.powderdata[0],Iparm2['Tminmax'][0])
                    Ifin = np.searchsorted(rd.powderdata[0],Iparm2['Tminmax'][1])
                    rd.powderdata[0] = rd.powderdata[0][Ibeg:Ifin]
                    YI,WYI = G2pwd.calcIncident(Iparm2,rd.powderdata[0])
                    rd.powderdata[1] = rd.powderdata[1][Ibeg:Ifin]/YI
                    var = 1./rd.powderdata[2][Ibeg:Ifin]
                    var += WYI*rd.powderdata[1]**2
                    var /= YI**2
                    rd.powderdata[2] = 1./var
                rd.powderdata[1] = np.where(np.isinf(rd.powderdata[1]),0.,rd.powderdata[1])
                rd.powderdata[3] = np.zeros_like(rd.powderdata[0])
                rd.powderdata[4] = np.zeros_like(rd.powderdata[0])
                rd.powderdata[5] = np.zeros_like(rd.powderdata[0])
            Ymin = np.min(rd.powderdata[1])                 
            Ymax = np.max(rd.powderdata[1])                 
            valuesdict = {
                'wtFactor':1.0,
                'Dummy':False,
                'ranId':ran.randint(0,sys.maxsize),
                'Offset':[0.0,0.0],'delOffset':0.02*Ymax,'refOffset':-.1*Ymax,'refDelt':0.1*Ymax,
                'Yminmax':[Ymin,Ymax]
                }
            # apply user-supplied corrections to powder data
            if 'CorrectionCode' in Iparm1:
                print('Applying corrections from instprm file')
                corr = Iparm1['CorrectionCode'][0]
                try:
                    exec(corr)
                    print('done')
                except Exception as err:
                    print(u'error: {}'.format(err))
                    print('with commands -------------------')
                    print(corr)
                    print('---------------------------------')
                finally:
                    del Iparm1['CorrectionCode']
            rd.Sample['ranId'] = valuesdict['ranId'] # this should be removed someday
            self.GPXtree.SetItemPyData(Id,[valuesdict,rd.powderdata])
            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),rd.comments)
            Tmin = min(rd.powderdata[0])
            Tmax = max(rd.powderdata[0])
            Tmin1 = Tmin
            if 'NT' in Iparm1['Type'][0] and G2lat.Pos2dsp(Iparm1,Tmin) < 0.4:                
                Tmin1 = G2lat.Dsp2pos(Iparm1,0.4)
            if 'PXE' in Iparm1['Type'][0]:
                Iparm1.update(rd.Inst)
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Limits'),
                rd.pwdparms.get('Limits',[(Tmin,Tmax),[Tmin1,Tmax]])
                )
            self.PatternId = GetGPXtreeItemId(self,Id,'Limits')
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Background'),
                rd.pwdparms.get('Background',
                    [['chebyschev-1',True,3,1.0,0.0,0.0],{'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[],
                    'background PWDR':['',1.0,False]}]))
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Instrument Parameters'),
                [Iparm1,Iparm2])
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Sample Parameters'),
                rd.Sample)
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Peak List')
                ,{'peaks':[],'sigDict':{}})
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Index Peak List'),
                [[],[]])
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Unit Cells List'),
                [])
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Reflection Lists'),
                {})
            # if any Control values have been set, move them into tree
            Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
            Controls.update(rd.Controls)
            newHistList.append(HistName)
            rd.repeat_instparm = False  #clear the iparm reuse flag
        else:
            self.EnablePlot = True
            if Id:
                self.GPXtree.Expand(Id)
                self.GPXtree.SelectItem(Id)

        if not newHistList: return # somehow, no new histograms
        # make a list of phase names
        phaseRIdList,usedHistograms = self.GetPhaseInfofromTree()
        phaseNameList = list(usedHistograms.keys()) # phase names in use
        if not phaseNameList: return # no phases yet, nothing to do
        header = 'Select phase(s) to link\nto the newly-read data:'
        for Name in newHistList:
            header += '\n  '+str(Name)

        result = G2G.ItemSelector(phaseNameList,self,header,header='Add to phase(s)',multiple=True)
        if not result: return
        # connect new phases to histograms
        sub = GetGPXtreeItemId(self,self.root,'Phases')
        if not sub:
            raise Exception('ERROR -- why are there no phases here?')
        item, cookie = self.GPXtree.GetFirstChild(sub)
        iph = -1
        while item: # loop over (new) phases
            iph += 1
            data = self.GPXtree.GetItemPyData(item)
            item, cookie = self.GPXtree.GetNextChild(sub, cookie)
            if iph not in result: continue
            generalData = data['General']
            SGData = generalData['SGData']
            UseList = data['Histograms']
            NShkl = len(G2spc.MustrainNames(SGData))
            NDij = len(G2spc.HStrainNames(SGData))
            for histoName in newHistList:
                UseList[histoName] = SetDefaultDData(Iparm1['Type'][0],histoName,NShkl=NShkl,NDij=NDij)
                Id = GetGPXtreeItemId(self,self.root,histoName)
                refList = self.GPXtree.GetItemPyData(
                    GetGPXtreeItemId(self,Id,'Reflection Lists'))
                refList[generalData['Name']] = []
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree() # reindex
        self.EnableRefineCommand()
        return # success

    def OnDummyPowder(self,event):
        '''Called in response to Import/Powder Data/Simulate menu item
        to create a Dummy powder diffraction data set. 

        Reads an instrument parameter file and then gets input from the user
        '''
        # get a list of existing histograms
        PWDRlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('PWDR ') and name not in PWDRlist:
                    PWDRlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # Initialize a base class reader
        rd = G2obj.ImportPowderData(
            extensionlist=tuple(),
            strictExtension=False,
            formatName = 'Simulate dataset',
            longFormatName = 'Compute a simulated pattern')
        rd.powderentry[0] = '' # no filename
        # #self.powderentry[1] = pos # bank offset (N/A here)
        rd.powderentry[2] = 1 # only one bank
        rd.comments.append('This is a dummy dataset for powder pattern simulation')
        self.CheckNotebook()
        Iparm = None
        lastdatafile = ''
        self.zipfile = None
        # get instrument parameters for it
        Iparm = self.GetPowderIparm(rd, Iparm, '', lastdatafile)
        if Iparm is None:
            return
        Iparm1, Iparm2 = Iparm
        if 'T' in Iparm1['Type'][0]:
            rd.idstring = ' TOF neutron simulation'
            simType = 'TOF'
        else:
            # need to get name, 2theta start, end, step
            rd.idstring = ' CW'
            simType = 'CW'
            if 'X' in Iparm1['Type'][0]:
                rd.idstring = 'CW x-ray simulation'
            else:
                rd.idstring = 'CW neutron simulation'
            # base initial range on wavelength
            wave = Iparm1.get('Lam')
            if wave:
                wave = wave[0]
            else:
                wave = Iparm1.get('Lam1')
                if wave:
                    wave = wave[0]
        N = 0
        while (N < 3): # insist on a dataset with a few points
            if 'TOF' in rd.idstring:
                names = ('dataset name', 'start TOF(ms)', 'end TOF(ms)', 'DT/T')
                inp = [rd.idstring, 10.,80.,0.0005] # see names for what's what
                dlg = G2G.ScrolledMultiEditor(
                    self,[inp] * len(inp),range(len(inp)),names,
                    header='Enter simulation name and range',
                    minvals=(None,.5,1.0,0.0001),
                    maxvals=(None,500.,500.,.01),
                    sizevals=((225,-1),)
                    )
            else:
                names = ('dataset name', 'start angle', 'end angle', 'step size')
                if not wave or wave < 1.0:
                    inp = [rd.idstring, 10.,40.,0.005] # see names for what's what
                else:
                    inp = [rd.idstring, 10.,80.,0.01] # see names for what's what
                dlg = G2G.ScrolledMultiEditor(
                    self,[inp] * len(inp),range(len(inp)),names,
                    header='Enter simulation name and range',
                    minvals=(None,0.001,0.001,0.0001),
                    maxvals=(None,180.,180.,.1),
                    sizevals=((225,-1),)
                    )
            dlg.CenterOnParent()
            if dlg.ShowModal() == wx.ID_OK:
                if inp[1] > inp[2]:
                    end,start,step = inp[1:]
                else:                
                    start,end,step = inp[1:]
                step = abs(step)
            else:
                return False
            if 'TOF' in rd.idstring:
                N = (np.log(end)-np.log(start))/step
                x = np.exp((np.arange(0,N))*step+np.log(start*1000.))
                N = len(x)
            else:            
                N = int((end-start)/step)+1
                x = np.linspace(start,end,N,True)
                N = len(x)
        rd.powderdata = [
            np.array(x), # x-axis values
            np.zeros_like(x), # powder pattern intensities
            np.ones_like(x), # 1/sig(intensity)^2 values (weights)
            np.zeros_like(x), # calc. intensities (zero)
            np.zeros_like(x), # calc. background (zero)
            np.zeros_like(x), # obs-calc profiles
            ]
        Tmin = rd.powderdata[0][0]
        Tmax = rd.powderdata[0][-1]
        # data are read, now store them in the tree
        HistName = inp[0]
        HistName = 'PWDR '+HistName
        HistName = G2obj.MakeUniqueLabel(HistName,PWDRlist)  # make new histogram names unique
        Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
        Ymin = np.min(rd.powderdata[1])
        Ymax = np.max(rd.powderdata[1])
        valuesdict = {
            'wtFactor':1.0,
            'Dummy':True,'simType':simType,
            'ranId':ran.randint(0,sys.maxsize),
            'Offset':[0.0,0.0],'delOffset':0.02*Ymax,'refOffset':-.1*Ymax,'refDelt':0.1*Ymax,
            'Yminmax':[Ymin,Ymax]
            }
        self.GPXtree.SetItemPyData(Id,[valuesdict,rd.powderdata])
        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),rd.comments)
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Limits'),
            [(Tmin,Tmax),[Tmin,Tmax]])
        self.PatternId = GetGPXtreeItemId(self,Id,'Limits')
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Background'),
            [['chebyschev-1',True,3,1.0,0.0,0.0],
             {'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[],'background PWDR':['',1.0,False]}])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Instrument Parameters'),
            [Iparm1,Iparm2])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Sample Parameters'),
            rd.Sample)
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Peak List')
            ,{'peaks':[],'sigDict':{}})
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Index Peak List'),
            [[],[]])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Unit Cells List'),
            [])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Reflection Lists'),
            {})
        self.GPXtree.Expand(Id)
        self.GPXtree.SelectItem(Id)
        print(u'Added simulation powder data {}'.format(HistName)+
              ' with parameters from {}'.format(rd.instmsg))

        # make a list of phase names
        phaseRIdList,usedHistograms = self.GetPhaseInfofromTree()
        phaseNameList = list(usedHistograms.keys()) # phase names in use
        if not phaseNameList: return # no phases yet, nothing to do
        header = 'Select phase(s) to add the new\npowder simulation (dummy) dataset to:'
        result = G2G.ItemSelector(phaseNameList,self,header,header='Add to phase(s)',multiple=True)
        if not result: return
        # connect new phases to histograms
        sub = GetGPXtreeItemId(self,self.root,'Phases')
        if not sub:
            raise Exception('ERROR -- why are there no phases here?')
        item, cookie = self.GPXtree.GetFirstChild(sub)
        iph = -1
        while item: # loop over (new) phases
            iph += 1
            data = self.GPXtree.GetItemPyData(item)
            item, cookie = self.GPXtree.GetNextChild(sub, cookie)
            if iph not in result: continue
            generalData = data['General']
            SGData = generalData['SGData']
            UseList = data['Histograms']
            NShkl = len(G2spc.MustrainNames(SGData))
            NDij = len(G2spc.HStrainNames(SGData))
            UseList[HistName] = SetDefaultDData('PWDR',HistName,NShkl=NShkl,NDij=NDij)
            Id = GetGPXtreeItemId(self,self.root,HistName)
            refList = self.GPXtree.GetItemPyData(
                GetGPXtreeItemId(self,Id,'Reflection Lists'))
            refList[generalData['Name']] = []
        cId = GetGPXtreeItemId(self,self.root, 'Controls')
        Controls = self.GPXtree.GetItemPyData(cId)
        Controls['max cyc'] = 0
        self.EnableRefineCommand()
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree() # reindex
        return # success

    def AddSimulatedPowder(self,ttArr,intArr,HistName,Lam1,Lam2):
        '''Create a PWDR entry for a computed powder pattern
        '''
        # get a list of existing histograms
        PWDRlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('PWDR ') and name not in PWDRlist:
                    PWDRlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # Initialize a base class reader
        rd = G2obj.ImportPowderData(
            extensionlist=tuple(),
            strictExtension=False,
            formatName = 'FPA Simulated dataset',
            longFormatName = 'Fundamental Parameters simulated pattern')
        rd.powderentry[0] = '' # no filename
        # #self.powderentry[1] = pos # bank offset (N/A here)
        rd.powderentry[2] = 1 # only one bank
        rd.comments.append('This is a powder pattern simulated with Fundamental Parameters')
        self.CheckNotebook()
        #self.zipfile = None
        # get instrument parameters for it
        rd.Sample.update({'Type':'Bragg-Brentano','Shift':[0.,False],'Transparency':[0.,False],
            'SurfRoughA':[0.,False],'SurfRoughB':[0.,False]})
        Iparm1, Iparm2 = G2fil.ReadPowderInstprm(dI.defaultIparms[0],1,1,rd)
        rd.idstring = ' CW'
        simType = 'CW'
        # set wavelength
        if Lam2:
            Iparm1['Lam1'][0] = Lam1
            Iparm1['Lam2'][0] = Lam2
            Iparm1['Lam1'][1] = Lam1
            Iparm1['Lam2'][1] = Lam2
        else:
            Iparm1['Lam'] = Iparm1['Lam1']
            del Iparm1['Lam1'],Iparm1['Lam2']
            Iparm1['Lam'][0] = Lam1
            Iparm1['Lam'][1] = Lam1

        rd.powderdata = [
            np.array(ttArr), # x-axis values
            np.array(intArr), # powder pattern intensities
            np.ones_like(ttArr), # 1/sig(intensity)^2 values (weights)
            np.zeros_like(intArr), # calc. intensities (zero)
            np.zeros_like(ttArr), # calc. background (zero)
            np.zeros_like(ttArr), # obs-calc profiles
            ]
        Tmin = rd.powderdata[0][0]
        Tmax = rd.powderdata[0][-1]
        # data are read, now store them in the tree
        HistName = 'PWDR '+HistName
        HistName = G2obj.MakeUniqueLabel(HistName,PWDRlist)  # make new histogram names unique
        Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
        Ymin = np.min(rd.powderdata[1])
        Ymax = np.max(rd.powderdata[1])
        valuesdict = {
            'wtFactor':1.0,
            'Dummy':True,'simType':simType,
            'ranId':ran.randint(0,sys.maxsize),
            'Offset':[0.0,0.0],'delOffset':0.02*Ymax,'refOffset':-.1*Ymax,'refDelt':0.1*Ymax,
            'Yminmax':[Ymin,Ymax]
            }
        self.GPXtree.SetItemPyData(Id,[valuesdict,rd.powderdata])
        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),rd.comments)
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Limits'),
            [(Tmin,Tmax),[Tmin,Tmax]])
        self.PatternId = GetGPXtreeItemId(self,Id,'Limits')
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Background'),
            [['chebyschev-1',True,3,1.0,0.0,0.0],
             {'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[],'background PWDR':['',1.0,False]}])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Instrument Parameters'),
            [Iparm1,Iparm2])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Sample Parameters'),
            rd.Sample)
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Peak List')
            ,{'peaks':[],'sigDict':{}})
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Index Peak List'),
            [[],[]])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Unit Cells List'),
            [])
        self.GPXtree.SetItemPyData(
            self.GPXtree.AppendItem(Id,text='Reflection Lists'),
            {})
        self.GPXtree.Expand(Id)
        self.GPXtree.SelectItem(Id)
        print(u'Added simulation powder data {}'.format(HistName))
        return Id
    
    def OnPreferences(self,event):
        'Edit the GSAS-II configuration variables'
        dlg = G2G.SelectConfigSetting(self)
        dlg.ShowModal() == wx.ID_OK
        dlg.Destroy()

    def EditProxyInfo(self,event):
        '''Edit the proxy information used by subversion (svn only, not used with git)
        '''
        h,p,e = host,port,etc = GSASIIpath.getsvnProxy()
        labels = ['Proxy address','proxy port']
        values = [host,port]
        i = 1
        for item in etc:
            i += 1
            labels.append('extra svn arg #'+str(i))
            values.append(item)
        msg = '''This dialog allows customization of the subversion (svn) 
        command. If a proxy server is needed, the address/host and port 
        can be added supplied here. This will generate command-line options 
%t%          --config-option servers:global:http-proxy-host=*host*
%t%          --config-option servers:global:http-proxy-port=*port*
%%
        where *host* will be a network name (proxy.subnet.org) or
        IP address (102.3.123.23) and *port* will be a port number 
        (integer such as 80, 8080, etc) or will be blank. 
%%
        Additional subversion command line options can be supplied here
        by pressing the '+' button. Two lines are needed for each option 
        where the first svn option name (starting with two dashes) and 
        the second line will be the value. 
        As examples of options that might be of 
        value, use two extra lines to add:
%t%          --config-dir
%t%          DIR
%%
        to specify an alternate configuration location. 
%%
        Or, use four extra lines to add
%t%          --config-option
%t%          servers:global:http-proxy-username=*account*
%t%          --config-option
%t%          servers:global:http-proxy-password=*password*
%%
        to specify a proxy user name (*account*) and password (*password*). 
        Note that this information will be stored in a plain-text file. 
%%
        See http://svnbook.red-bean.com for more information on subversion. 
        '''
        dlg = G2G.MultiStringDialog(self,'Enter proxy values',
                            labels,values,size=300,addRows=True,hlp=msg)
        if dlg.Show():
            values = dlg.GetValues()
            h,p = values[:2]
            e = values[2:]
        dlg.Destroy()
        if h != host or p != port or etc != e:
            localproxy = proxyinfo = os.path.join(
                os.path.expanduser('~/.G2local/'),
                "proxyinfo.txt")
            if not os.path.exists(proxyinfo):
                proxyinfo = os.path.join(GSASIIpath.path2GSAS2,"proxyinfo.txt")
            GSASIIpath.setsvnProxy(h,p,e)
            if not h.strip() and not e:
                if os.path.exists(localproxy): os.remove(localproxy)
                if os.path.exists(proxyinfo): os.remove(proxyinfo)
                return
            try:
                fp = open(proxyinfo,'w')
            except:
                fp = open(localproxy,'w')
                proxyinfo = localproxy
            try:
                fp.write(h.strip()+'\n')
                fp.write(p.strip()+'\n')
                for i in e:
                    if i.strip():
                        fp.write(i.strip()+'\n')
                fp.close()
            except Exception as err:
                print('Error writing file {}:\n{}'.format(proxyinfo,err))
            print('File {} written'.format(proxyinfo))
                
    def _Add_ImportMenu_smallangle(self,parent):
        '''configure the Small Angle Data menus accord to the readers found in _init_Imports
        '''
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu,'Small Angle Data','Import small angle data')
        for reader in self.ImportSmallAngleReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportSmallAngle, id=item.GetId())
        # item = submenu.Append(wx.ID_ANY,
        #     help='Import small angle data, use file to try to determine format',
        #     kind=wx.ITEM_NORMAL,text='guess format from file')
        # self.Bind(wx.EVT_MENU, self.OnImportSmallAngle, id=item.GetId())

    def OnImportSmallAngle(self,event):
        '''Called in response to an Import/Small Angle Data/... menu item
        to read a small angle diffraction data set. 
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.
        Small angle data is presumed to be as QIE form for either x-rays or neutrons
        '''
        
        def GetSASDIparm(reader):
            ''' Setup instrument parameters for small ang scattering data
            '''
            parm = reader.instdict
            Iparm = {'Type':[parm['type'],parm['type'],0],'Lam':[parm['wave'],
                parm['wave'],0],'Azimuth':[0.,0.,0]}           
            return Iparm,{}
            
        # get a list of existing histograms
        SASDlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('SASD ') and name not in SASDlist:
                    SASDlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())  
        rdlist = self.OnImportGeneric(
            reqrdr,self.ImportSmallAngleReaderlist,'Small Angle Data',multiple=True)
        if len(rdlist) == 0: return
        self.CheckNotebook()
        newHistList = []
        self.EnablePlot = False
        for rd in rdlist:
            HistName = rd.idstring
            HistName = 'SASD '+HistName
            # make new histogram names unique
            HistName = G2obj.MakeUniqueLabel(HistName,SASDlist)
            print ('Read small angle data '+HistName+ \
                ' from file '+self.lastimport)
            # data are read, now store them in the tree
            Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
            Iparm1,Iparm2 = GetSASDIparm(rd)
            Tmin = min(rd.smallangledata[0])
            Tmax = max(rd.smallangledata[0])
            valuesdict = {
                'wtFactor':1.0,
                'Dummy':False,
                'ranId':ran.randint(0,sys.maxsize),
                'Offset':[0.0,0.0],
                }
            rd.Sample['ranId'] = valuesdict['ranId'] # this should be removed someday
            self.GPXtree.SetItemPyData(Id,[valuesdict,rd.smallangledata])
            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),rd.comments)
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Limits'),
                [(Tmin,Tmax),[Tmin,Tmax]])
            self.PatternId = GetGPXtreeItemId(self,Id,'Limits')
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Instrument Parameters'),
                [Iparm1,Iparm2])
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Substances'),G2pdG.SetDefaultSubstances())
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Sample Parameters'),
                rd.Sample)
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Models'),G2pdG.SetDefaultSASDModel())
            newHistList.append(HistName)
        else:
            self.EnablePlot = True
            self.GPXtree.Expand(Id)
            self.GPXtree.SelectItem(Id)
            
        if not newHistList: return # somehow, no new histograms
        return # success
        
    def _Add_ImportMenu_reflectometry(self,parent):
        '''configure the reflectometry Data menus accord to the readers found in _init_Imports
        '''
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu,'Reflectometry Data','Import reflectometry data')
        for reader in self.ImportReflectometryReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportReflectometry, id=item.GetId())
        # item = submenu.Append(wx.ID_ANY,
        #     help='Import reflectometry data, use file to try to determine format',
        #     kind=wx.ITEM_NORMAL,text='guess format from file')
        # self.Bind(wx.EVT_MENU, self.OnImportReflectometry, id=item.GetId())
        
    def OnImportReflectometry(self,event):
        '''Called in response to an Import/Reflectometry Data/... menu item
        to read a reflectometry data set. 
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.
        Reflectometry data is presumed to be in QIE form for x-rays of neutrons
        '''
        
        def GetREFDIparm(reader):
            ''' Setup reflectometry data instrument parameters
            '''
            parm = reader.instdict
            Iparm = {'Type':[parm['type'],parm['type'],0],'Lam':[parm['wave'],
                parm['wave'],0],'Azimuth':[0.,0.,0]}           
            return Iparm,{}
            
        # get a list of existing histograms
        REFDlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('REFD ') and name not in REFDlist:
                    REFDlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())  
        rdlist = self.OnImportGeneric(
            reqrdr,self.ImportReflectometryReaderlist,'Reflectometry Data',multiple=True)
        if len(rdlist) == 0: return
        self.CheckNotebook()
        newHistList = []
        self.EnablePlot = False
        for rd in rdlist:
            HistName = rd.idstring
            HistName = 'REFD '+HistName
            # make new histogram names unique
            HistName = G2obj.MakeUniqueLabel(HistName,REFDlist)
            print ('Read reflectometry data '+HistName+ \
                ' from file '+self.lastimport)
            # data are read, now store them in the tree
            Id = self.GPXtree.AppendItem(parent=self.root,text=HistName)
            Iparm1,Iparm2 = GetREFDIparm(rd)
            Tmin = min(rd.reflectometrydata[0])
            Tmax = max(rd.reflectometrydata[0])
            ifDQ = np.any(rd.reflectometrydata[5])
            valuesdict = {
                'wtFactor':1.0,
                'Dummy':False,
                'ranId':ran.randint(0,sys.maxsize),
                'Offset':[0.0,0.0],
                'ifDQ':ifDQ
                }
            rd.Sample['ranId'] = valuesdict['ranId'] # this should be removed someday
            self.GPXtree.SetItemPyData(Id,[valuesdict,rd.reflectometrydata])
            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),rd.comments)
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Limits'),
                [(Tmin,Tmax),[Tmin,Tmax]])
            self.PatternId = GetGPXtreeItemId(self,Id,'Limits')
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Instrument Parameters'),
                [Iparm1,Iparm2])
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Substances'),G2pdG.SetDefaultSubstances())
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Sample Parameters'),
                rd.Sample)
            self.GPXtree.SetItemPyData(
                self.GPXtree.AppendItem(Id,text='Models'),G2pdG.SetDefaultREFDModel())
            newHistList.append(HistName)
        else:
            self.EnablePlot = True
            self.GPXtree.Expand(Id)
            self.GPXtree.SelectItem(Id)
            
        if not newHistList: return # somehow, no new histograms
        return # success

    def _Add_ImportMenu_PDF(self,parent):
        '''configure the PDF Data menus accord to the readers found in _init_Imports
        '''
        submenu = wx.Menu()
        item = parent.AppendSubMenu(submenu,'PDF G(R) Data','Import PDF G(R) data')
        for reader in self.ImportPDFReaderlist:
            item = submenu.Append(wx.ID_ANY,u'from '+reader.formatName+u' file',reader.longFormatName)
            self.ImportMenuId[item.GetId()] = reader
            self.Bind(wx.EVT_MENU, self.OnImportPDF, id=item.GetId())
        submenu.AppendSeparator()
        item = submenu.Append(wx.ID_ANY,'Auto Import','Import PDF files as found')
        def OnAutoImport(event):
            G2G.AutoLoadFiles(self,FileTyp='gr')
        self.Bind(wx.EVT_MENU, OnAutoImport, id=item.GetId())
        # item = submenu.Append(wx.ID_ANY,
        #     help='Import reflectometry data, use file to try to determine format',
        #     kind=wx.ITEM_NORMAL,text='guess format from file')
        # self.Bind(wx.EVT_MENU, self.OnImportReflectometry, id=item.GetId())
        
    def OnImportPDF(self,event):
        '''Called in response to an Import/PDF G(R) Data/... menu item
        to read a PDF G(R) data set. 
        dict self.ImportMenuId is used to look up the specific
        reader item associated with the menu item, which will be
        None for the last menu item, which is the "guess" option
        where all appropriate formats will be tried.
        '''
        
        # get a list of existing histograms
        PDFlist = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name.startswith('PDF ') and name not in PDFlist:
                    PDFlist.append(name)
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        # look up which format was requested
        reqrdr = self.ImportMenuId.get(event.GetId())  
        rdlist = self.OnImportGeneric(
            reqrdr,self.ImportPDFReaderlist,'PDF G(R) Data',multiple=True)
        if len(rdlist) == 0: return
        self.CheckNotebook()
        newHistList = []
        self.EnablePlot = False
        for rd in rdlist:
            HistName = rd.idstring
            HistName = 'PDF '+HistName
            # make new histogram names unique
            HistName = G2obj.MakeUniqueLabel(HistName,PDFlist)
            print ('Read PDF G(R) data '+HistName+ \
                ' from file '+self.lastimport)
            # data are read, now store them in the tree
            Id = self.GPXtree.AppendItem(self.root,text=HistName)
            Ymin = np.min(rd.pdfdata[1])                 
            Ymax = np.max(rd.pdfdata[1])
            Rmin = np.min(rd.pdfdata[0])                 
            Rmax = np.max(rd.pdfdata[0])                 
            valuesdict = {
                'wtFactor':1.0,'Dummy':False,'ranId':ran.randint(0,sys.maxsize),
                'Offset':[0.0,0.0],'delOffset':0.02*Ymax,
                'Yminmax':[Ymin,Ymax],
                }
            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),rd.comments)
            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='PDF Controls'),
                {'G(R)':[valuesdict,rd.pdfdata,HistName],'diffGRname':'','diffMult':1.0,'Rmax':Ymax,'Type':rd.Type,
                 'dscale':[1.0,False],'Fitrange':[Rmin,Rmax],'qdamp':[0.03,False],'qbroad':[0,False],'Temp':300.})
            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='PDF Peaks'),
                {'Limits':[1.,5.],'Background':[2,[0.,-0.2*np.pi],False],'Peaks':[]})
        else:
            self.EnablePlot = True
            self.GPXtree.Expand(Id)
            self.GPXtree.SelectItem(Id)
            
        if not newHistList: return # somehow, no new histograms
        return # success
    
    def AddToNotebook(self,text):
        '''Add entry to Notebook tree item
        '''
        Id =  GetGPXtreeItemId(self,self.root,'Notebook')
        data = self.GPXtree.GetItemPyData(Id)
        data.append('Notebook entry @ %s: %s'%(time.ctime(),text))    
                   

### Command logging ###########################################################
    def OnMacroRecordStatus(self,event,setvalue=None):
        '''Called when the record macro menu item is used which toggles the
        value. Alternately a value to be set can be provided. Note that this
        routine is made more complex because on the Mac there are lots of menu
        items (listed in self.MacroStatusList) and this loops over all of them.
        '''
        nextvalue = log.ShowLogStatus() != True
        if setvalue is not None:
            nextvalue = setvalue 
        if nextvalue:
            log.LogOn()
            set2 = True
        else:
            log.LogOff()
            set2 = False
        for menuitem in self.MacroStatusList:
            menuitem.Check(set2)

    def _init_Macro(self):
        '''Define the items in the macro menu.
        '''
        menu = self.MacroMenu
        item = menu.Append(
                help='Start or stop recording of menu actions, etc.', id=wx.ID_ANY,
                kind=wx.ITEM_CHECK,text='Record actions')
        self.MacroStatusList.append(item)
        item.Check(log.ShowLogStatus())
        self.Bind(wx.EVT_MENU, self.OnMacroRecordStatus, item)

        # this may only be of value for development work
        item = menu.Append(
            help='Show logged commands', id=wx.ID_ANY,
            kind=wx.ITEM_NORMAL,text='Show log')
        def OnShowLog(event):
            print (70*'=')
            print ('List of logged actions')
            for i,line in enumerate(log.G2logList):
                if line: print ('%d %s'%(i,line))
            print (70*'=')
        self.Bind(wx.EVT_MENU, OnShowLog, item)

        item = menu.Append(
            help='Clear logged commands', id=wx.ID_ANY,
            kind=wx.ITEM_NORMAL,text='Clear log')
        def OnClearLog(event): log.G2logList=[None]
        self.Bind(wx.EVT_MENU, OnClearLog, item)
        
        item = menu.Append(
            help='Save logged commands to file', id=wx.ID_ANY,
            kind=wx.ITEM_NORMAL,text='Save log')
        def OnSaveLog(event):
            defnam = os.path.splitext(os.path.split(self.GSASprojectfile)[1])[0]+'.gcmd'
            dlg = wx.FileDialog(self,
                'Choose a file to save past actions', '.', defnam, 
                'GSAS-II cmd output (*.gcmd)|*.gcmd',
                wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
            dlg.CenterOnParent()
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    filename = dlg.GetPath()
                    # make sure extension is correct
                    filename = os.path.splitext(filename)[0]+'.gcmd'
                else:
                    filename = None
            finally:
                dlg.Destroy()
            if filename:
                fp = open(filename,'wb')
                fp.write(str(len(log.G2logList)-1)+'\n')
                for item in log.G2logList:
                    if item: cPickle.dump(item,fp)
                fp.close()
        self.Bind(wx.EVT_MENU, OnSaveLog, item)

        item = menu.Append(
            help='Load logged commands from file', id=wx.ID_ANY,
            kind=wx.ITEM_NORMAL,text='Load log')
        def OnLoadLog(event):
            # this appends. Perhaps we should ask to clear? 
            defnam = os.path.splitext(
                os.path.split(self.GSASprojectfile)[1])[0]+'.gcmd'
            dlg = wx.FileDialog(self,
                'Choose an file to read saved actions', '.', defnam, 
                'GSAS-II cmd output (*.gcmd)|*.gcmd',
                wx.FD_OPEN)
            dlg.CenterOnParent()
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    filename = dlg.GetPath()
                    # make sure extension is correct
                    filename = os.path.splitext(filename)[0]+'.gcmd'
                else:
                    filename = None
            finally:
                dlg.Destroy()
            if filename and os.path.exists(filename):
                fp = open(filename,'rb')
                lines = fp.readline()
                for i in range(int(lines)):
                    log.G2logList.append(cPickle.load(fp))
                fp.close()
        self.Bind(wx.EVT_MENU, OnLoadLog, item)

        item = menu.Append(
            help='Replay saved commands', id=wx.ID_ANY,
            kind=wx.ITEM_NORMAL,text='Replay log')
        self.Bind(wx.EVT_MENU, log.ReplayLog, item)
        
# End of logging ##############################################################

    def _init_Exports(self,menu):
        '''Find exporter routines and add them into menus
        '''
        # set up the top-level menus
        projectmenu = wx.Menu()
        item = menu.AppendSubMenu(projectmenu,'Entire project as','Export entire project')
        self.ExportNonSeq.append([menu,item.Id])
        
        phasemenu = wx.Menu()
        item = menu.AppendSubMenu(phasemenu,'Phase as','Export phase or sometimes phases')
        self.ExportNonSeq.append([menu,item.Id])

        powdermenu = wx.Menu()
        item = menu.AppendSubMenu(powdermenu,'Powder data as','Export powder diffraction histogram(s)')
        self.ExportNonSeq.append([menu,item.Id])
        
        sasdmenu = wx.Menu()
        item = menu.AppendSubMenu(sasdmenu,'Small angle data as','Export small angle histogram(s)')

        refdmenu = wx.Menu()
        item = menu.AppendSubMenu(refdmenu,'Reflectometry data as','Export reflectometry histogram(s)')

        singlemenu = wx.Menu()
        item = menu.AppendSubMenu(singlemenu,'Single crystal data as','Export single crystal histogram(s)')

        imagemenu = wx.Menu()
        item = menu.AppendSubMenu(imagemenu,'Image data as','Export powder image(s) data')

        mapmenu = wx.Menu()
        item = menu.AppendSubMenu(mapmenu,'Maps as','Export density map(s)')

        # sequential exports are handled differently; N.B. en-/disabled in testSeqRefineMode
        item = menu.Append(wx.ID_ANY,'Sequential project as CIF',
                            'Export project from sequential fit as a full CIF')
        self.Bind(wx.EVT_MENU, self.DoSequentialProjExport, item)
        self.ExportSeq.append([menu,item.Id])
        seqPhasemenu = wx.Menu()
        item = menu.AppendSubMenu(seqPhasemenu,'Sequential phases','Export phases from sequential fit')
        self.ExportSeq.append([menu,item.Id])
        seqHistmenu = wx.Menu()
        item = menu.AppendSubMenu(seqHistmenu,'Sequential histograms','Export histograms from sequential fit')
        self.ExportSeq.append([menu,item.Id])
        
        # find all the exporter files
        if not self.exporterlist: # this only needs to be done once
            self.exporterlist = G2fil.LoadExportRoutines(self)
                
        # Add submenu item(s) for each Exporter by its self-declared type (can be more than one)
        for obj in self.exporterlist:
            #print 'exporter',obj
            for typ in obj.exporttype:
                if typ == "project":
                    submenu = projectmenu
                elif typ == "phase":
                    submenu = phasemenu
                elif typ == "powder":
                    submenu = powdermenu
                elif typ == "single":
                    submenu = singlemenu
                elif typ == "image":
                    submenu = imagemenu
                elif typ == "map":
                    submenu = mapmenu
                elif typ == "sasd":
                    submenu = sasdmenu
                elif typ == "refd":
                    submenu = refdmenu
                # elif typ == "pdf":
                #     submenu = pdfmenu
                else:
                    print("Error, unknown type in "+str(obj))
                    break
                item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName)
                self.Bind(wx.EVT_MENU, obj.Exporter, id=item.GetId())
                self.ExportLookup[item.GetId()] = typ # lookup table for submenu item
            for lbl,submenu in (('Phase',seqPhasemenu),('Powder',seqHistmenu),):
                if lbl.lower() in obj.exporttype:
                    try:
                        obj.Writer
                    except AttributeError:
                        continue
                    # define a unique event handler for this menu item
                    def seqMenuItemEventHandler(event,obj=obj,typ=lbl):
                        'This handler has the needed exporter/type embedded'
                        # lookup sequential table
                        Id = GetGPXtreeItemId(self,self.root,'Sequential results')
                        if not Id:
                            print('Error in Seq seqMenuItemEventHandler for ',typ,'without Seq Res table')
                            return
                        data = self.GPXtree.GetItemPyData(Id)
                        G2IO.ExportSequential(self,data,obj,typ)
                    if '2' in platform.python_version_tuple()[0]:
                        if 'mode' in inspect.getargspec(obj.Writer)[0]:
                            item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName)
                            self.Bind(wx.EVT_MENU, seqMenuItemEventHandler, item)
                    else:
                        if 'mode' in inspect.getfullargspec(obj.Writer)[0]:
                            item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName)
                            self.Bind(wx.EVT_MENU, seqMenuItemEventHandler, item)
           
        item = imagemenu.Append(wx.ID_ANY,'Multiple image controls and masks',
            'Export image controls and masks for multiple images')
        self.Bind(wx.EVT_MENU, self.OnSaveMultipleImg, id=item.GetId())
        #code to debug an Exporter. hard-code the routine below, to allow a reload before use
        # def DebugExport(event):
        #      print 'start reload'
        #      reload(G2IO)
        #      import G2export_pwdr as dev
        #      reload(dev)
        #      dev.ExportPowderFXYE(self).Exporter(event)
        # item = menu.Append(
        #     wx.ID_ANY,kind=wx.ITEM_NORMAL,
        #     help="debug exporter",text="test Export FXYE")
        # self.Bind(wx.EVT_MENU, DebugExport, id=item.GetId())
        # # #self.ExportLookup[item.GetId()] = 'image'
        # self.ExportLookup[item.GetId()] = 'powder'

# Exporters ###################################################################
    def _Add_ExportMenuItems(self,parent):
        # item = parent.Append(
        #     help='Select PWDR item to enable',id=wx.ID_ANY,
        #     kind=wx.ITEM_NORMAL,
        #     text='Export Powder Patterns...')
        # self.ExportPattern.append(item)
        # item.Enable(False)
        # self.Bind(wx.EVT_MENU, self.OnExportPatterns, id=item.GetId())

        item = parent.Append(wx.ID_ANY,'Export All Peak Lists...','')
        self.ExportPeakList.append(item)
        item.Enable(True)
        self.Bind(wx.EVT_MENU, self.OnExportPeakList, id=item.GetId())

        item = parent.Append(wx.ID_ANY,'Export HKLs...','')
        self.ExportHKL.append(item)
        self.Bind(wx.EVT_MENU, self.OnExportHKL, id=item.GetId())
        
        item = parent.Append(wx.ID_ANY,'Export MTZ file...','')
        self.ExportMTZ.append(item)
        self.Bind(wx.EVT_MENU, self.OnExportMTZ, id=item.GetId())

        item = parent.Append(wx.ID_ANY,'Export PDF...','Select PDF item to enable')
        self.ExportPDF.append(item)
        item.Enable(False)
        self.Bind(wx.EVT_MENU, self.OnExportPDF, id=item.GetId())
            
    def FillMainMenu(self,menubar,addhelp=True):
        '''Define contents of the main GSAS-II menu for the (main) data tree window.
        For the mac, this is also called for the data item windows as well so that
        the main menu items are data menu as well.
        '''
        File = wx.Menu(title='')
        menubar.Append(menu=File, title='&File')
        self._Add_FileMenuItems(File)
        Data = wx.Menu(title='')
        menubar.Append(menu=Data, title='Data')
        self._Add_DataMenuItems(Data)
        Calculate = wx.Menu(title='')        
        menubar.Append(menu=Calculate, title='&Calculate')
        self._Add_CalculateMenuItems(Calculate)
        Import = wx.Menu(title='')        
        menubar.Append(menu=Import, title='Import')
        self._Add_ImportMenu_Image(Import)
        self._Add_ImportMenu_Phase(Import)
        self._Add_ImportMenu_powder(Import)
        self._Add_ImportMenu_Sfact(Import)
        self._Add_ImportMenu_smallangle(Import)
        self._Add_ImportMenu_reflectometry(Import)
        self._Add_ImportMenu_PDF(Import)
        
        item = Import.Append(wx.ID_ANY,'Column metadata test','Test Column (.par) metadata import')
        self.Bind(wx.EVT_MENU, self.OnColMetaTest, id=item.GetId())

        #======================================================================
        # Code to help develop/debug an importer, much is hard-coded below
        # but module is reloaded before each use, allowing faster testing
        # def DebugImport(event):
        #     print 'start reload'
        #     import G2phase_ISO as dev
        #     reload(dev)
        #     rd = dev.ISODISTORTPhaseReader()
        #     self.ImportMenuId[event.GetId()] = rd
        #     self.OnImportPhase(event)
            # or ----------------------------------------------------------------------
            #self.OnImportGeneric(rd,[],'test of ISODISTORTPhaseReader')
            # special debug code
            # or ----------------------------------------------------------------------
            # filename = '/Users/toby/projects/branton/subgroup_cif.txt'
            # if not rd.ContentsValidator(filename):
            #     print 'not validated'
            #     # make a list of used phase ranId's
            # phaseRIdList = []
            # sub = GetGPXtreeItemId(self,self.root,'Phases')
            # if sub:
            #     item, cookie = self.GPXtree.GetFirstChild(sub)
            #     while item:
            #         phaseName = self.GPXtree.GetItemText(item)
            #         ranId = self.GPXtree.GetItemPyData(item).get('ranId')
            #         if ranId: phaseRIdList.append(ranId)
            #         item, cookie = self.GPXtree.GetNextChild(sub, cookie)
            # if rd.Reader(filename,usedRanIdList=phaseRIdList):
            #     print 'read OK'
        # item = Import.Append(
        #     wx.ID_ANY,kind=wx.ITEM_NORMAL,
        #     help="debug importer",text="test importer")
        # self.Bind(wx.EVT_MENU, DebugImport, id=item.GetId())
        #======================================================================
        self.ExportMenu = wx.Menu(title='')
        menubar.Append(menu=self.ExportMenu, title='Export')
        self._init_Exports(self.ExportMenu)
        self._Add_ExportMenuItems(self.ExportMenu)
        if GSASIIpath.GetConfigValue('Enable_logging'):
            self.MacroMenu = wx.Menu(title='')
            menubar.Append(menu=self.MacroMenu, title='Macro')
            self._init_Macro()
        if addhelp:
            HelpMenu=G2G.MyHelp(self,includeTree=True,
                morehelpitems=[('&Tutorials\tCtrl+T','Tutorials'),])
            menubar.Append(menu=HelpMenu,title='&Help')
            
    def _init_ctrls(self, parent):
        try:
            size = GSASIIpath.GetConfigValue('Main_Size')
            if type(size) is tuple:
                pass
            elif type(size) is str:
                size = eval(size)
            else:
                raise Exception
        except:
            size = wx.Size(700,450)
        wx.Frame.__init__(self, name='GSASII', parent=parent,
            size=size,style=wx.DEFAULT_FRAME_STYLE, title='GSAS-II main window')
        self._init_Imports()
        #initialize Menu item objects (these contain lists of menu items that are enabled or disabled)
        self.MakePDF = []
        self.Refine = []
        self.ExportSeq = []
        self.ExportNonSeq = []
        #self.ExportPattern = []
        self.ExportPeakList = []
        self.ExportHKL = []
        self.ExportPDF = []
        self.ExportPhase = []
        self.ExportCIF = []
        self.ExportMTZ = []
        #
        self.MacroStatusList = []  # logging
        self.Status = self.CreateStatusBar()
        self.Status.SetFieldsCount(2)
        # Bob: note different ways to display the SplitterWindow. I like the 3d effect on the Mac
        # as it makes the splitter bar a bit easier to "grab" -- this might need to be platform selected.
        #self.mainPanel = wx.SplitterWindow(self, wx.ID_ANY, style=wx.SP_BORDER|wx.SP_LIVE_UPDATE)
        #self.mainPanel = wx.SplitterWindow(self, wx.ID_ANY, style=wx.SP_BORDER|wx.SP_LIVE_UPDATE|wx.SP_3DSASH)
        self.mainPanel = wx.SplitterWindow(self, wx.ID_ANY, style=wx.SP_LIVE_UPDATE|wx.SP_3D)
        self.mainPanel.SetMinimumPaneSize(100)
        self.treePanel = wx.Panel(self.mainPanel, wx.ID_ANY,
            style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER)
        
        self.dataWindow = G2DataWindow(self.mainPanel)
        dataSizer = wx.BoxSizer(wx.VERTICAL)
        self.dataWindow.SetSizer(dataSizer)
        self.mainPanel.SplitVertically(self.treePanel, self.dataWindow, 200)
        self.Status.SetStatusWidths([200,-1])   # make these match?
        
        G2G.wxID_GPXTREE = wx.NewId()
        treeSizer = wx.BoxSizer(wx.VERTICAL)
        self.treePanel.SetSizer(treeSizer)
        self.GPXtree = G2G.G2TreeCtrl(id=G2G.wxID_GPXTREE,
            parent=self.treePanel, size=self.treePanel.GetClientSize(),style=wx.TR_DEFAULT_STYLE )
        treeSizer.Add(self.GPXtree,1,wx.EXPAND|wx.ALL,0)
        self.GPXtree.Bind(wx.EVT_TREE_SEL_CHANGED,self.OnDataTreeSelChanged)
        self.GPXtree.Bind(wx.EVT_TREE_ITEM_RIGHT_CLICK,self.OnDataTreeSelChanged)
        self.GPXtree.Bind(wx.EVT_TREE_ITEM_COLLAPSED,
            self.OnGPXtreeItemCollapsed, id=G2G.wxID_GPXTREE)
        self.GPXtree.Bind(wx.EVT_TREE_ITEM_EXPANDED,
            self.OnGPXtreeItemExpanded, id=G2G.wxID_GPXTREE)
        self.GPXtree.Bind(wx.EVT_TREE_DELETE_ITEM,
            self.OnGPXtreeItemDelete, id=G2G.wxID_GPXTREE)
        self.GPXtree.Bind(wx.EVT_TREE_KEY_DOWN,
            self.OnGPXtreeKeyDown, id=G2G.wxID_GPXTREE)
        self.GPXtree.Bind(wx.EVT_TREE_BEGIN_RDRAG,
            self.OnGPXtreeBeginRDrag, id=G2G.wxID_GPXTREE)        
        self.GPXtree.Bind(wx.EVT_TREE_END_DRAG,
            self.OnGPXtreeEndDrag, id=G2G.wxID_GPXTREE)        
        self.root = self.GPXtree.root        

        try:
            size = GSASIIpath.GetConfigValue('Plot_Size')
            if type(size) is tuple:
                pass
            elif type(size) is str:
                size = eval(size)
            else:
                raise Exception
        except:
            size = wx.Size(700,600)                
        self.plotFrame = wx.Frame(None,-1,'GSASII Plots',size=size,
            style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX)
        self.G2plotNB = G2plt.G2PlotNoteBook(self.plotFrame,G2frame=self)
        self.plotFrame.Show()

        for win,var in ((self,'Main_Pos'),(self.plotFrame,'Plot_Pos')):
            try:
                pos = GSASIIpath.GetConfigValue(var)
                if type(pos) is str: pos = eval(pos)
                win.SetPosition(pos)
                if GetDisplay(pos) is None: win.Center()
            except:
                if GSASIIpath.GetConfigValue(var):
                    print('Value for config {} {} is invalid'.format(var,GSASIIpath.GetConfigValue(var)))
                    win.Center()
                    
#### init_vars ################################################################
    def init_vars(self):
        ''' initialize default values for GSAS-II "global" variables (saved in main Frame)
        '''
        self.oldFocus = None
        self.undofile = ''
        self.TreeItemDelete = False
        self.Weight = False
        self.IfPlot = False
        self.DDShowAll = False
        self.atmSel = ''
        self.PatternId = 0
        self.PickId = 0
        self.PickIdText = None
        self.PeakTable = []
        self.LimitsTable = []
        self.ifX20 = True   #use M20 /= (1+X20) in powder indexing, etc.
        self.HKL = []
        self.Extinct = []
        self.PlotOpts = {}  # new place to put plotting options
        self.Lines = []     # lines used for data limits & excluded regions
        self.MagLines = []  # lines used for plot magnification
        self.itemPicked = None
        self.Interpolate = 'nearest'
        self.ContourColor = GSASIIpath.GetConfigValue('Contour_color','GSPaired')
        self.VcovColor = 'RdYlGn'
        self.RamaColor = 'Blues'
        self.Projection = 'equal area'
        self.logPlot = False
        self.plusPlot = True
        self.ErrorBars = False
        self.Contour = False
        self.TforYaxis = False
        self.Legend = False
        self.SinglePlot = True
        self.Waterfall = False
        self.selections= None
        self.PDFselections = None
        self.SubBack = False
        self.seqReverse = False
        self.seqLines = True #draw lines between points
        self.plotView = 0
        self.Image = 0
        self.oldImagefile = '' # the name of the last image file read
        self.oldImageTag = None # the name of the tag for multi-image files
        self.PauseIntegration = False
        self.ImageZ = []
        self.Integrate = 0
        self.imageDefault = {}
        self.IntgOutList = [] # list of integration tree item Ids created in G2IO.SaveIntegration
        self.AutointPWDRnames = [] # list of autoint created PWDR tree item names (to be deleted on a reset)
        self.autoIntFrame = None
        self.IntegratedList = [] # list of already integrated IMG tree items
        self.Sngl = False
        self.ifGetRing = False
        self.MaskKey = ''           #trigger for making image masks
        self.MskDelete = False      #trigger for mask delete
        self.StrainKey = ''         #ditto for new strain d-zeros
        self.EnablePlot = True
        self.hist = ''              # selected histogram in Phase/Data tab
        self.dataDisplayPhaseText = ''
        self.lastTreeSetting = [] # used to track the selected Tree item before a refinement
        self.ExpandingAll = False
        self.SeqTblHideList = None
        self.newGPXfile = ''
        self.lastSelectedPhaseTab = None # track the last tab pressed on a phase window
        self.testRBObjSizers = {}   #rigid body sizer datafile contents
        self.RMCchoice = 'RMCProfile' 
        
    def __init__(self, parent):
        self.ExportLookup = {}
        self.exporterlist = []
        self._init_ctrls(parent)
        self.Image = wx.Image(GSASIIpath.getIconFile('gsas2.ico'),
                                  wx.BITMAP_TYPE_ICO)
        if "wxMSW" in wx.PlatformInfo:
            img = self.Image.Scale(16, 16).ConvertToBitmap()
        elif "wxGTK" in wx.PlatformInfo:
            img = self.Image.Scale(22, 22).ConvertToBitmap()
        else:
            img = self.Image.ConvertToBitmap()
        if 'phoenix' in wx.version():
            self.SetIcon(wx.Icon(img))
        else:
            self.SetIcon(wx.IconFromBitmap(img))
        self.Bind(wx.EVT_CLOSE, self.ExitMain)
        self.GSASprojectfile = ''
        self.dirname = os.path.abspath(os.path.expanduser('~'))       #start in the users home directory by default; may be meaningless
        self.TutorialImportDir = None  # location to read tutorial files, set when a tutorial is viewed
        self.LastImportDir = None # last-used directory where an import was done
        self.LastGPXdir = ''    # directory where a GPX file was last or saved
        self.LastExportDir = None  # the last directory used for exports, if any.
        self.dataDisplay = None
        self.init_vars()
        
        if GSASIIpath.GetConfigValue('Starting_directory'):
            try:
                pth = GSASIIpath.GetConfigValue('Starting_directory')
                pth = os.path.expanduser(pth) 
                os.chdir(pth)
                self.LastGPXdir = pth
            except:
                print('Ignoring Config Starting_directory value: '+
                      GSASIIpath.GetConfigValue('Starting_directory'))
        arg = sys.argv
        if len(arg) > 1 and arg[1]:
            try:
                self.GSASprojectfile = os.path.splitext(arg[1])[0]+u'.gpx'
            except:
                self.GSASprojectfile = os.path.splitext(arg[1])[0]+'.gpx'
            self.dirname = os.path.abspath(os.path.dirname(arg[1]))
            if self.dirname:
                self.GSASprojectfile = os.path.split(self.GSASprojectfile)[1]
                os.chdir(self.dirname)
                self.LastGPXdir = self.dirname
            try:
                #open the file if possible
                if sys.platform == "darwin": # on Mac delay a bit so GUI can open
                    wx.CallAfter(self.StartProject)
                else:
                    self.StartProject()
                return
            except Exception:
                print ('Error opening or reading file'+arg[1])
                import traceback
                print (traceback.format_exc())
        elif any('SPYDER' in name for name in os.environ):
            self.OnFileReopen(None)
            
    def GetTreeItemsList(self,item):
        ''' returns a list of all GSAS-II tree items
        '''
        return self.GPXtree._getTreeItemsList(item)

    # def OnSize(self,event):
    #     'Called to make GPXtree fill mainPanel'
    #     print 'OnSize'
    #     event.Skip()
        # w,h = self.GetClientSizeTuple()
        # self.dataWindow.SetupScrolling()
        # self.mainPanel.SetSize(wx.Size(w,h))
        # self.GPXtree.SetSize(wx.Size(w,h))
        # self.dataWindow.SetSize(self.dataPanel.GetClientSize())
        
    def SetDataSize(self):
        '''this routine is a placeholder until all G2frame.SetDataSize calls are replaced
        by G2frame.dataWindow.SetDataSize
        '''
        # TOTO: diagnostic patch
        print ('G2frame.SetDataSize called rather than dataWindow.SetDataSize')
        G2obj.HowDidIgetHere(True)
        self.dataWindow.SetDataSize()
                                
    def OnDataTreeSelChanged(self, event):
        '''Called when a data tree item is selected. May be called on item deletion as well.
        '''
        if self.TreeItemDelete:
            self.TreeItemDelete = False
        else:
            if self.ExpandingAll:
                if GSASIIpath.GetConfigValue('debug'): print('Skipping Tree selection due to ExpandAll')
                return
            pltNum = self.G2plotNB.nb.GetSelection()
            if pltNum >= 0:                         #to avoid the startup with no plot!
                self.G2plotNB.nb.GetPage(pltNum)
            item = event.GetItem()
            wx.CallAfter(SelectDataTreeItem,self,item,self.oldFocus)
            #if self.oldFocus: # now done via last parameter on SelectDataTreeItem
            #    wx.CallAfter(self.oldFocus.SetFocus)
        
    def OnGPXtreeItemCollapsed(self, event):
        'Called when a tree item is collapsed - all children will be collapsed'
        self.GPXtree.CollapseAllChildren(event.GetItem())

    def OnGPXtreeItemExpanded(self, event):
        'Called when a tree item is expanded'
        event.Skip()
        
    def OnGPXtreeItemDelete(self, event):
        'Called when a tree item is deleted, inhibit the next tree item selection action'
        self.TreeItemDelete = True

    def OnGPXtreeItemActivated(self, event):
        'Called when a tree item is activated'
        event.Skip()
        
    def OnGPXtreeBeginRDrag(self,event):
        event.Allow()
        self.BeginDragId = event.GetItem()
        self.ParentId = self.GPXtree.GetItemParent(self.BeginDragId)
        DragText = self.GPXtree.GetItemText(self.BeginDragId)
        self.DragData = [[DragText,self.GPXtree.GetItemPyData(self.BeginDragId)],]
        item, cookie = self.GPXtree.GetFirstChild(self.BeginDragId)
        while item:     #G2 data tree has no sub children under a child of a tree item
            name = self.GPXtree.GetItemText(item)
            self.DragData.append([name,self.GPXtree.GetItemPyData(item)])
            item, cookie = self.GPXtree.GetNextChild(self.BeginDragId, cookie)                            
        
    def OnGPXtreeEndDrag(self,event):
        event.Allow()
        self.EndDragId = event.GetItem()
        try:
            NewParent = self.GPXtree.GetItemParent(self.EndDragId)
        except:
            self.EndDragId = self.GPXtree.GetLastChild(self.root)
            NewParent = self.root
        if self.ParentId != NewParent:
            self.ErrorDialog('Drag not allowed','Wrong parent for item dragged')
        else:
            Name,Item = self.DragData[0]
            NewId = self.GPXtree.InsertItem(self.ParentId,self.EndDragId,Name,data=None)
            self.GPXtree.SetItemPyData(NewId,Item)
            for name,item in self.DragData[1:]:     #loop over children
                Id = self.GPXtree.AppendItem(parent=NewId,text=name)
                self.GPXtree.SetItemPyData(Id,item)
            self.GPXtree.Delete(self.BeginDragId)
            SelectDataTreeItem(self,NewId)
        
    def OnGPXtreeKeyDown(self,event): #doesn't exactly work right with Shift key down
        'Allows stepping through the tree with the up/down arrow keys'
        self.oldFocus = wx.Window.FindFocus()
        keyevt = event.GetKeyEvent()
        key = event.GetKeyCode()
        item = self.GPXtree.GetSelection()
        if type(item) is int: return # is this the toplevel in tree?
        name = self.GPXtree.GetItemText(item)
        parent = self.GPXtree.GetItemParent(item)
        if key == wx.WXK_UP:
            if keyevt.GetModifiers() == wx.MOD_SHIFT and parent != self.root:
                if type(parent) is int: return # is this the toplevel in tree?
                prev = self.GPXtree.GetPrevSibling(parent)
                NewId = GetGPXtreeItemId(self,prev,name)
                if NewId:
                    self.GPXtree.Collapse(parent)
                    self.GPXtree.Expand(prev)
                    self.oldFocus = wx.Window.FindFocus()
                    wx.CallAfter(self.GPXtree.SelectItem,NewId)
                else:
                    wx.CallAfter(self.GPXtree.SelectItem,item)
            elif sys.platform == "win32":    
                self.GPXtree.GetPrevSibling(item)
                self.GPXtree.SelectItem(item)
            else:
                item = self.GPXtree.GetPrevSibling(item)
                if item.IsOk(): self.GPXtree.SelectItem(item)
        elif key == wx.WXK_DOWN:
            if keyevt.GetModifiers() == wx.MOD_SHIFT and parent != self.root:
                prev = self.GPXtree.GetNextSibling(parent)
                NewId = GetGPXtreeItemId(self,prev,name)
                if NewId:
                    self.GPXtree.Collapse(parent)
                    self.GPXtree.Expand(prev)
                    self.oldFocus = wx.Window.FindFocus()
                    wx.CallAfter(self.GPXtree.SelectItem,NewId)
                else:
                    wx.CallAfter(self.GPXtree.SelectItem,item)
            elif sys.platform == "win32":    
                self.GPXtree.GetNextSibling(item)
                self.GPXtree.SelectItem(item)
            else:    
                item = self.GPXtree.GetNextSibling(item)
                if item.IsOk(): self.GPXtree.SelectItem(item)
                    
    def OnColMetaTest(self,event):
        'Test the .par/.*lbls pair for contents'
        G2imG.testColumnMetadata(self)
                
    def OnPowderFPA(self,event):
        'Perform FPA simulation/peak fitting'
        # if GSASIIpath.GetConfigValue('debug'):
        #     print('Debug: reloading G2fpa')
        #     import imp
        #     imp.reload(G2fpa)
        G2fpa.GetFPAInput(self)
        
    def OnReadPowderPeaks(self,event):
        'Bound to menu Data/Read Powder Peaks'
        self.CheckNotebook()
        pth = G2G.GetImportPath(self)
        if not pth: pth = '.'
        dlg = wx.FileDialog(self, 'Choose file with peak list', pth, '', 
            'peak files (*.txt)|*.txt|All files (*.*)|*.*',wx.FD_MULTIPLE)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                for file_ajk in dlg.GetPaths():
                    self.HKL = []
                    self.Extinct = []
                    self.powderfile = file_ajk
                    comments,peaks,limits,wave = G2IO.GetPowderPeaks(self.powderfile)
                    Id = self.GPXtree.AppendItem(parent=self.root,text='PKS '+os.path.basename(self.powderfile))
                    data = ['PKS',wave,0.0]
                    names = ['Type','Lam','Zero'] 
                    codes = [0,0,0]
                    inst = [G2fil.makeInstDict(names,data,codes),{}]
                    self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Instrument Parameters'),inst)
                    self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),comments)
                    self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Limits'),[tuple(limits),limits])
                    self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Index Peak List'),[peaks,[]])
                    self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Unit Cells List'),[])             
                    self.GPXtree.Expand(Id)
                    self.GPXtree.SelectItem(Id)
                os.chdir(dlg.GetDirectory())           # to get Mac/Linux to change directory!
        finally:
            dlg.Destroy()
                        
    def CheckNotebook(self):
        '''Make sure the data tree has the minimally expected controls.
        '''
        new = False
        if not GetGPXtreeItemId(self,self.root,'Notebook'):
            new = True
            sub = self.GPXtree.AppendItem(parent=self.root,text='Notebook')
            self.GPXtree.SetItemPyData(sub,[''])
        if not GetGPXtreeItemId(self,self.root,'Controls'):
            new = True
            sub = self.GPXtree.AppendItem(parent=self.root,text='Controls')
            self.GPXtree.SetItemPyData(sub,copy.copy(G2obj.DefaultControls))
        if not GetGPXtreeItemId(self,self.root,'Covariance'):
            new = True
            sub = self.GPXtree.AppendItem(parent=self.root,text='Covariance')
            self.GPXtree.SetItemPyData(sub,{})
        if not GetGPXtreeItemId(self,self.root,'Constraints'):
            new = True
            sub = self.GPXtree.AppendItem(parent=self.root,text='Constraints')
            self.GPXtree.SetItemPyData(sub,{'Hist':[],'HAP':[],'Phase':[],
                        'Global':[],'_seqmode':'auto-wildcard', '_seqhist':0})
        if not GetGPXtreeItemId(self,self.root,'Restraints'):
            new = True
            sub = self.GPXtree.AppendItem(parent=self.root,text='Restraints')
            self.GPXtree.SetItemPyData(sub,{})
        if not GetGPXtreeItemId(self,self.root,'Rigid bodies'):
            new = True
            sub = self.GPXtree.AppendItem(parent=self.root,text='Rigid bodies')
            self.GPXtree.SetItemPyData(sub,{'Vector':{'AtInfo':{}},'Residue':{'AtInfo':{}},
                'Spin':{},'RBIds':{'Vector':[],'Residue':[],'Spin':[]}})
        if new:
            self.GPXtree.Expand(self.GPXtree.root)
                
    class CopyDialog(wx.Dialog):
        '''Creates a dialog for copying control settings between
        data tree items'''
        def __init__(self,parent,title,text,data):
            wx.Dialog.__init__(self,parent,-1,title, 
                pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE)
            self.data = data
            panel = wx.Panel(self)
            mainSizer = wx.BoxSizer(wx.VERTICAL)
            topLabl = wx.StaticText(panel,-1,text)
            mainSizer.Add((10,10),1)
            mainSizer.Add(topLabl,0,wx.ALIGN_CENTER_VERTICAL|wx.LEFT,10)
            mainSizer.Add((10,10),1)
            ncols = len(data)/40+1
            dataGridSizer = wx.FlexGridSizer(cols=ncols,hgap=2,vgap=2)
            for Id,item in enumerate(self.data):
                ckbox = wx.CheckBox(panel,Id,item[1])
                ckbox.Bind(wx.EVT_CHECKBOX,self.OnCopyChange)                    
                dataGridSizer.Add(ckbox,0,wx.LEFT,10)
            mainSizer.Add(dataGridSizer,0,wx.EXPAND)
            OkBtn = wx.Button(panel,-1,"Ok")
            OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
            cancelBtn = wx.Button(panel,-1,"Cancel")
            cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
            btnSizer = wx.BoxSizer(wx.HORIZONTAL)
            btnSizer.Add((20,20),1)
            btnSizer.Add(OkBtn)
            btnSizer.Add((20,20),1)
            btnSizer.Add(cancelBtn)
            btnSizer.Add((20,20),1)
            
            mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10)
            panel.SetSizer(mainSizer)
            panel.Fit()
            self.Fit()
        
        def OnCopyChange(self,event):
            Id = event.GetId()
            self.data[Id][0] = self.FindWindowById(Id).GetValue()        
            
        def OnOk(self,event):
            parent = self.GetParent()
            if parent is not None: parent.Raise()
            self.EndModal(wx.ID_OK)              
            
        def OnCancel(self,event):
            parent = self.GetParent()
            if parent is not None: parent.Raise()
            self.EndModal(wx.ID_CANCEL)              
            
        def GetData(self):
            return self.data
        
    class SumDialog(wx.Dialog):
        '''Allows user to supply scale factor(s) when summing data 
        '''
        def __init__(self,parent,title,text,dataType,data,dataList,Limits=None):
            wx.Dialog.__init__(self,parent,-1,title,size=(400,250),
                pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE|wx.RESIZE_BORDER)
            self.plotFrame = wx.Frame(self,-1,'Sum Plots',size=wx.Size(700,600), \
                style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX)
            self.G2plotNB = G2plt.G2PlotNoteBook(self.plotFrame,G2frame=self)
            self.text = text
            self.data = data
            self.average = False
            self.selectData = copy.copy(data[:-1])
            self.selectVals = len(data)*[0.0,]
            self.dataList = dataList
            self.Limits = Limits
            self.filterlist = range(len(self.dataList)) # list of the choice numbers that have been filtered (list of int indices)
            self.dataType = dataType
            self.filterVal = ''
            self.panel = None
            self.Draw()
            
        def Draw(self):            
            if self.panel:
                self.panel.DestroyChildren()  #safe: wx.Panel
                self.panel.Destroy()
            size = (480,350)
            self.panel = wxscroll.ScrolledPanel(self, wx.ID_ANY,size=size,
                style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER)
            mainSizer = wx.BoxSizer(wx.VERTICAL)
            mainSizer.Add(wx.StaticText(self.panel,label=self.text),0)
            mainSizer.Add((10,10))
            self.dataGridSizer = wx.FlexGridSizer(cols=2,hgap=2,vgap=2)
            self.dataGridSizer.Add((-1,-1))
            topSizer = wx.BoxSizer(wx.HORIZONTAL)
            topSizer.Add((-1,-1),1,wx.EXPAND,1)
            topSizer.Add(wx.StaticText(self.panel,label='Filter:  '),0,WACV)
            self.timer = wx.Timer()
            self.timer.Bind(wx.EVT_TIMER,self.OnFilter)
            self.filterBox = wx.TextCtrl(self.panel, wx.ID_ANY, self.filterVal,
                                         size=(80,-1),style=wx.TE_PROCESS_ENTER)
            self.filterBox.Bind(wx.EVT_TEXT,self.onChar)
            self.filterBox.Bind(wx.EVT_TEXT_ENTER,self.OnFilter)
            topSizer.Add(self.filterBox,0,WACV)
            self.dataGridSizer.Add(topSizer,1,wx.RIGHT|wx.BOTTOM|wx.EXPAND,1)
            self.dataGridSizer.Add((-1,10))
            self.dataGridSizer.Add((-1,10))
            for Id,item in enumerate(self.selectData):
                name = wx.TextCtrl(self.panel,-1,item,size=wx.Size(300,20))
                name.SetEditable(False)
                scale = G2G.ValidatedTxtCtrl(self.panel,self.selectVals,Id,nDig=(10,3),typeHint=float)
                self.dataGridSizer.Add(scale,0,wx.LEFT,10)
                self.dataGridSizer.Add(name,0,wx.RIGHT,10)
            if self.dataType:
                ScaleAll = wx.Button(self.panel,wx.ID_ANY,'Set all above')
                ScaleAll.Bind(wx.EVT_BUTTON, self.OnAllScale)
                if self.dataType == 'PWDR':
                    self.Avg = wx.CheckBox(self.panel,label=' Make average?')
                    self.Avg.Bind(wx.EVT_CHECKBOX,self.OnAve)
                self.dataGridSizer.Add(ScaleAll,0,wx.LEFT,10)
                if self.dataType == 'PWDR':
                    self.dataGridSizer.Add(self.Avg,0,wx.RIGHT,10)
                self.dataGridSizer.Add(wx.StaticText(self.panel,-1,' Result type: '+self.dataType),1,
                    wx.LEFT|wx.ALIGN_CENTER_VERTICAL,1)
            mainSizer.Add(self.dataGridSizer,0,wx.EXPAND)
            self.name = G2G.ValidatedTxtCtrl(self.panel,self.data,-1,size=wx.Size(300,20))
            mainSizer.Add(self.name,0,wx.RIGHT|wx.TOP,10)
            self.OkBtn = wx.Button(self.panel,-1,"Ok")
            self.OkBtn.Bind(wx.EVT_BUTTON, self.OnOk)
            cancelBtn = wx.Button(self.panel,-1,"Cancel")
            cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel)
            btnSizer = wx.FlexGridSizer(0,3,10,20)
            if self.dataType =='PWDR':
                TestBtn = wx.Button(self.panel,-1,"Test")
                TestBtn.Bind(wx.EVT_BUTTON, self.OnTest)
                btnSizer.Add(TestBtn)
            btnSizer.Add(self.OkBtn)
            btnSizer.Add(cancelBtn)
            btnSizer.Add((5,5))
            
            self.panel.SetSizer(mainSizer)
            self.panel.SetAutoLayout(1)
            self.panel.SetupScrolling()
            mainSizer.Add((10,10),1)
            mainSizer.Add(btnSizer,0,wx.CENTER)
            self.panel.SetSizer(mainSizer)
            self.panel.Fit()
            self.Fit()
            
        def OnAve(self,event):
            self.average = self.Avg.GetValue()

        def OnFilter(self,event):
            '''Read text from filter control and select entries that match.
            '''
            if self.timer.IsRunning():
                self.timer.Stop()
            self.filterVal = txt = self.filterBox.GetValue()
            if txt:
                txt = txt.lower()
                ChoiceList = []
                ChoiceVals = []
                for i,item in enumerate(self.selectData):
                    if item.lower().find(txt) != -1:
                        ChoiceList.append(item)
                        ChoiceVals.append(self.selectVals[i])
                self.selectData = ChoiceList
                self.selectVals = ChoiceVals
            else:
#                self.selectData = copy.copy(self.data[:-1])
                self.selectVals = len(self.data)*[0.0,]
            wx.CallAfter(self.Draw)
            
        def GetData(self):
            if self.dataType == 'PWDR':
                return self.selectData+[self.data[-1],],self.result
            else:
                return self.selectData+[self.data[-1],],self.selectVals
                        
        def onChar(self,event):
            'Respond to keyboard events in the Filter box'
            self.filterVal = self.filterBox.GetValue()
            if self.timer.IsRunning():
                self.timer.Stop()
            self.timer.Start(1000,oneShot=True)
            if event: event.Skip()

        def OnAllScale(self,event):
            dlg = G2G.SingleFloatDialog(self,'New scale',
                                        'Enter new value for all scale factors',1.)
            dlg.CenterOnParent()
            if dlg.ShowModal() == wx.ID_OK:
                val = dlg.GetValue()
                dlg.Destroy()
            else:
                dlg.Destroy()
                return
            for Id,item in enumerate(self.selectData):
                self.selectVals[Id] = val
            wx.CallAfter(self.Draw)
            
        def OnTest(self,event):
            lenX = 0
            Xminmax = [0,0]
            XY = []
            Xsum = []
            Ysum = []
            Vsum = []
            for i,item in enumerate(self.selectData):
                name = item
                scale = self.selectVals[i]
                Id = self.data.index(name)
                data = self.dataList[Id]
                if scale:
                    x,y,w,yc,yb,yd = data   #numpy arrays!
                    if self.Limits is not None:
                        xMin = np.searchsorted(x,self.Limits[1][0])
                        xMax = np.searchsorted(x,self.Limits[1][1])
                        x = x[xMin:xMax+1]
                        y = y[xMin:xMax+1]
                        lenX = xMax-xMin+1
                    XY.append([x,scale*y])
                    v = 1./w[xMin:xMax+1]
                    if lenX:
                        if lenX != len(x):
                            self.GetParent().ErrorDialog('Data length error','Data to be summed must have same number of points'+
                                '\nExpected:'+str(lenX)+
                                '\nFound:   '+str(len(x))+'\nfor '+name)
                            return
#                            self.OnCancel(event)
                    else:
                        lenX = len(x)
                    if Xminmax[1]:
                        if Xminmax != [x[0],x[-1]]:
                            self.GetParent().ErrorDialog('Data range error','Data to be summed must span same range'+
                                '\nExpected:'+str(Xminmax[0])+' '+str(Xminmax[1])+
                                '\nFound:   '+str(x[0])+' '+str(x[-1])+'\nfor '+name)
                            return
#                            self.OnCancel(event)
                    else:
                        Xminmax = [x[0],x[-1]]
                        Xsum = x
                    if self.dataType == 'PWDR' and self.average:
                        Ysum.append(scale*y)
                        Vsum.append(abs(scale)*v)
                    else:
                        try:
                            Ysum += scale*y
                            Vsum += abs(scale)*v
                        except ValueError:
                            Ysum = scale*y
                            Vsum = abs(scale)*v
            if self.dataType =='PWDR' and self.average:
                maYsum = ma.masked_equal(Ysum,0)
                Ysum = ma.mean(maYsum,axis=0)
                Wsum = 1./np.array(Ysum)
            else:
                Wsum = 1./Vsum
            YCsum = np.zeros(lenX)
            YBsum = np.zeros(lenX)
            YDsum = np.zeros(lenX)
            XY.append([Xsum,Ysum])
            self.result = [Xsum,Ysum,Wsum,YCsum,YBsum,YDsum]
            # N.B. PlotXY expects the first arg to point to G2frame. In this case, we
            # create a duplicate (temporary) Plot notebook window that is a child of the
            # modal SumDialog dialog (self). This nicely gets deleted when the dialog is destroyed,
            # but the plot window is not fully functional, at least on the Mac.
            if len(XY[0][0]):
                G2plt.PlotXY(self,XY,lines=True,Title='Sum:'+self.data[-1],labelY='Intensity',)
                self.plotFrame.Show()
                return True
                        
        def OnOk(self,event):
            if self.dataType == 'PWDR':
                if not self.OnTest(event): return
            parent = self.GetParent()
            if parent is not None: parent.Raise()
            self.EndModal(wx.ID_OK)              
            
        def OnCancel(self,event):
            parent = self.GetParent()
            if parent is not None: parent.Raise()
            self.EndModal(wx.ID_CANCEL)              
            
    def OnPwdrSum(self,event):
        'Sum or Average together powder data(?)'
        TextList = []
        DataList = []
        Limits = []
        Names = []
        Inst = None
        Comments = ['Sum/Average equals: \n']
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                Names.append(name)
                if 'PWDR' in name:
                    TextList.append(name)
                    DataList.append(self.GPXtree.GetItemPyData(item)[1])    # (x,y,w,yc,yb,yd)
                    if not Inst:
                        Inst = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,item, 'Instrument Parameters'))
                    if not Limits:
                        Limits = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,item, 'Limits'))
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
            if len(TextList) < 2:
                self.ErrorDialog('Not enough data to sum/average','There must be more than one "PWDR" pattern')
                return
            TextList.append('default_ave_name')                
            dlg = self.SumDialog(self,'Sum/Average data','''
    Enter scale for each pattern to be summed/averaged
    Limits for first pattern used sets range for the sum
    All patterns used must extend over this range
                ''','PWDR',
                TextList,DataList,Limits)
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    result,sumData = dlg.GetData()
                    Xsum,Ysum,Wsum,YCsum,YBsum,YDsum = sumData
                    Xminmax = [Xsum[0],Xsum[-1]]
                    outname = 'PWDR '+result[-1]
                    Id = 0
                    if outname in Names:
                        dlg2 = wx.MessageDialog(self,'Overwrite data?','Duplicate data name',wx.OK|wx.CANCEL)
                        try:
                            if dlg2.ShowModal() == wx.ID_OK:
                                Id = GetGPXtreeItemId(self,self.root,name)
                                self.GPXtree.Delete(Id)
                        finally:
                            dlg2.Destroy()
                    Id = self.GPXtree.AppendItem(parent=self.root,text=outname)
                    if Id:
                        Sample = G2obj.SetDefaultSample()
                        Ymin = np.min(Ysum)
                        Ymax = np.max(Ysum)
                        valuesdict = {
                            'wtFactor':1.0,
                            'Dummy':False,
                            'ranId':ran.randint(0,sys.maxsize),
                            'Offset':[0.0,0.0],'delOffset':0.02*Ymax,'refOffset':-.1*Ymax,'refDelt':0.1*Ymax,
                            'Yminmax':[Ymin,Ymax]
                            }
                        self.GPXtree.SetItemPyData(Id,[valuesdict,[np.array(Xsum),np.array(Ysum),np.array(Wsum),
                            np.array(YCsum),np.array(YBsum),np.array(YDsum)]])
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),Comments)                    
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Limits'),[tuple(Xminmax),Xminmax])
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Background'),[['chebyschev-1',True,3,1.0,0.0,0.0],
                            {'nDebye':0,'debyeTerms':[],'nPeaks':0,'peaksList':[],'background PWDR':['',1.0,False]}])
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Instrument Parameters'),Inst)
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Sample Parameters'),Sample)
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Peak List'),{'peaks':[],'sigDict':{}})
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Index Peak List'),[[],[]])
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Unit Cells List'),[])             
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Reflection Lists'),{})             
                        self.GPXtree.SelectItem(Id)
                        self.GPXtree.Expand(Id)
            finally:
                dlg.Destroy()

    def OnImageSum(self,event):
        'Sum together image data'
        TextList = []
        DataList = []
        IdList = []
        Names = []
        Comments = ['Sum equals: \n']
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                Names.append(name)
                if 'IMG' in name:
                    TextList.append(name)
                    DataList.append(self.GPXtree.GetImageLoc(item))        #Size,Image,Tag
                    IdList.append(item)
                    Data = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,item,'Image Controls'))
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
            if len(TextList) < 2:
                self.ErrorDialog('Not enough data to sum','There must be more than one "IMG" pattern')
                return
            TextList.append('default_sum_name')                
            dlg = self.SumDialog(self,'Sum data',' Enter scale for each image to be summed','IMG',
                TextList,DataList)
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    imSize = 0
                    result,scales = dlg.GetData()
                    First = True
                    Found = False
                    for name,scale in zip(result,scales):
                        if scale:
                            Found = True                                
                            Comments.append("%10.3f %s" % (scale,' * '+name))
                            i = TextList.index(name)
                            Npix,imagefile,imagetag = DataList[i]
                            imagefile = G2IO.GetCheckImageFile(self,IdList[i])[1]
                            image = G2IO.GetImageData(self,imagefile,imageOnly=True,ImageTag=imagetag)
                            if First:
                                newImage = np.zeros_like(image)
                                First = False
                            if imSize:
                                if imSize != Npix:
                                    self.ErrorDialog('Image size error','Images to be summed must be same size'+ \
                                        '\nExpected:'+str(imSize)+ \
                                        '\nFound:   '+str(Npix)+'\nfor '+name)
                                    return
                                newImage = newImage+scale*image
                            else:
                                imSize = Npix
                                newImage = newImage+scale*image
                            del(image)
                    if not Found:
                        self.ErrorDialog('Image sum error','No nonzero image multipliers found')
                        return
                                               
                    newImage = np.array(newImage,dtype=np.int32)                        
                    outname = 'IMG '+result[-1]
                    Id = 0
                    if outname in Names:
                        dlg2 = wx.MessageDialog(self,'Overwrite data?','Duplicate data name',wx.OK|wx.CANCEL)
                        try:
                            if dlg2.ShowModal() == wx.ID_OK:
                                Id = GetGPXtreeItemId(self,self.root,name)
                        finally:
                            dlg2.Destroy()
                    else:
                        Id = self.GPXtree.AppendItem(parent=self.root,text=outname)
                    if Id:
                        pth = os.path.split(os.path.abspath(imagefile))[0]
#                        pth = G2G.GetExportPath(self)
                        dlg = wx.FileDialog(self, 'Choose sum image filename', pth,outname.split('IMG ')[1], 
                            'G2img files (*.G2img)|*.G2img', 
                            wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
                        if dlg.ShowModal() == wx.ID_OK:
                            newimagefile = dlg.GetPath()
                            newimagefile = G2IO.FileDlgFixExt(dlg,newimagefile)
                            G2IO.PutG2Image(newimagefile,Comments,Data,Npix,newImage)
                            Imax = np.amax(newImage)
                            Imin = np.amin(newImage)
                            newImage = []
                            self.GPXtree.SetItemPyData(Id,[imSize,newimagefile])
                            self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Comments'),Comments)
                        del(newImage)
                        if self.imageDefault:
                            Data.update(copy.deepcopy(self.imageDefault))
                        Data['formatName'] = 'GSAS-II image'
                        Data['showLines'] = True
                        Data['ring'] = []
                        Data['rings'] = []
                        Data['cutoff'] = 10
                        Data['pixLimit'] = 20
                        Data['ellipses'] = []
                        Data['calibrant'] = ''
                        Data['range'] = [(Imin,Imax),[Imin,Imax]]
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Image Controls'),Data)                                            
                        Masks = {'Points':[],'Rings':[],'Arcs':[],'Polygons':[],
                            'Frames':[],'Thresholds':[(Imin,Imax),[Imin,Imax]],
                                     'SpotMask':{'esdMul':2.,'spotMask':None}}
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Masks'),Masks)
                        self.GPXtree.SetItemPyData(self.GPXtree.AppendItem(Id,text='Stress/Strain'),
                            {'Type':'True','d-zero':[],'Sample phi':0.0,'Sample z':0.0,'Sample load':0.0})
                        self.GPXtree.SelectItem(Id)
                        self.GPXtree.Expand(Id)
                        self.PickId = GetGPXtreeItemId(self,self.root,outname)
                        self.Image = self.PickId
            finally:
                dlg.Destroy()
                      
    def OnAddPhase(self,event):
        'Add a new, empty phase to the tree. Called by Data/Add Phase menu'
        PhaseName = ''
        dlg = wx.TextEntryDialog(None,'Enter a name for this phase','Phase Name Entry','New phase',
            style=wx.OK)
        if dlg.ShowModal() == wx.ID_OK:
            PhaseName = dlg.GetValue()
            self.CheckNotebook()
            sub = FindPhaseItem(self)
            dlg.Destroy()
        else:
            dlg.Destroy()
            return
        if not GetGPXtreeItemId(self,self.root,'Restraints'):
            subr = self.GPXtree.AppendItem(parent=self.root,text='Restraints')
            self.GPXtree.SetItemPyData(subr,{PhaseName:{}})
        else:
            subr = GetGPXtreeItemId(self,self.root,'Restraints')
            self.GPXtree.GetItemPyData(subr).update({PhaseName:{}})
        self.GPXtree.AppendItem(parent=subr,text=PhaseName)
        newphase = self.GPXtree.AppendItem(parent=sub,text=PhaseName)
        E,SGData = G2spc.SpcGroup('P 1')
        self.GPXtree.SetItemPyData(newphase,G2obj.SetNewPhase(Name=PhaseName,SGData=SGData))
        self.GPXtree.Expand(sub)
        SelectDataTreeItem(self,newphase) #bring up new phase General tab
        
    def OnDeletePhase(self,event):
        '''Delete one or more phases from the tree. Called by Data/Delete Phase menu.
        Also delete this phase from Reflection Lists for each PWDR histogram; 
        removes the phase from restraints and deletes any constraints 
        with variables from the phase.
        If any deleted phase is marked as Used in a histogram, a more rigorous
        "deep clean" is done and histogram refinement results are cleared, as well as 
        the covariance information and all plots are deleted
        '''
        selItem = self.GPXtree.GetSelection()
        if self.dataWindow:
            self.dataWindow.ClearData() 
        TextList = []
        DelList = []
        DelItemList = []
        consDeleted = 0
        usedPhase = False
        if GetGPXtreeItemId(self,self.root,'Phases'):
            sub = GetGPXtreeItemId(self,self.root,'Phases')
        else:
            return
        if GetGPXtreeItemId(self,self.root,'Restraints'):
            subr = GetGPXtreeItemId(self,self.root,'Restraints')
        else:
            subr = 0
        if GetGPXtreeItemId(self,self.root,'Constraints'):
            id = GetGPXtreeItemId(self,self.root,'Constraints')
            constr = self.GPXtree.GetItemPyData(id)
        else:
            constr = {}
            
        item, cookie = self.GPXtree.GetFirstChild(sub)
        while item:
            TextList.append(self.GPXtree.GetItemText(item))
            item, cookie = self.GPXtree.GetNextChild(sub, cookie)                
        dlg = wx.MultiChoiceDialog(self, 'Which phase(s) to delete?', 'Delete phase', TextList, wx.CHOICEDLG_STYLE)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                result = dlg.GetSelections()
                for i in result: DelList.append([i,TextList[i]])
                item, cookie = self.GPXtree.GetFirstChild(sub)
                i = 0
                while item:
                    if [i,self.GPXtree.GetItemText(item)] in DelList: DelItemList.append(item)
                    item, cookie = self.GPXtree.GetNextChild(sub, cookie)
                    i += 1
                for item in DelItemList:
                    phase = self.GPXtree.GetItemPyData(item)
                    for h in phase['Histograms']:
                        if 'Use' not in phase['Histograms'][h]: continue
                        if phase['Histograms'][h]['Use']:
                            usedPhase = True
                            break
                    if 'pId' in phase:
                        p = phase['pId']
                    else:
                        p = '?'
                    self.GPXtree.Delete(item)
                    if item == selItem: selItem = self.root
                    # look for constraints to remove
                    for key in constr:
                        delThis = []
                        if key.startswith('_'): continue
                        for i,cons in enumerate(constr[key]):
                            for var in cons[0:-3]:
                                if str(var[1]).startswith(str(p)):
                                    delThis.append(i)
                                    break
                        for i in reversed(delThis):
                            consDeleted += 1
                            del constr[key][i]
                # delete refinement results from histograms
                item, cookie = self.GPXtree.GetFirstChild(self.root)
                while item:
                    name = self.GPXtree.GetItemText(item)
                    if 'PWDR' in name:
                        data = self.GPXtree.GetItemPyData(item)
                        if usedPhase: # remove r-factors
                            dellist = [value for value in data[0] if ':' in value]
                            for v in dellist+['Durbin-Watson', 'R', 'wR', 'Rb',
                                                  'wRb', 'wRmin','Nobs']:
                                if v in data[0]: del data[0][v]
                            # could wipe out computed & difference patterns, but does not work
                            #data[1][3] = np.zeros_like(data[1][3])
                            #data[1][5] = np.zeros_like(data[1][5])
                        # always get rid of reflection lists 
                        Id = GetGPXtreeItemId(self,item, 'Reflection Lists')
                        refList = self.GPXtree.GetItemPyData(Id)
                        if len(refList):
                            for i,item in DelList:
                                if item in refList:
                                    del(refList[item])
                    elif 'HKLF' in name and usedPhase: # probably not needed if phase is not used
                        data = self.GPXtree.GetItemPyData(item)
                        data[0] = {}

                    item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        finally:
            dlg.Destroy()
        if usedPhase: # clear info from last refinement for "deep clean" if a used phase is deleted
            id = GetGPXtreeItemId(self,self.root,'Covariance')
            if DelItemList and id:
                self.GPXtree.SetItemPyData(id,{})
            id = GetGPXtreeItemId(self,self.root,'Sequential results')
            if DelItemList and id:
                self.GPXtree.Delete(id)
                if id == selItem: selItem = self.root
            # delete all plots
            for lbl in self.G2plotNB.plotList:
                self.G2plotNB.Delete(lbl)
        if subr and DelList:     #remove restraints for deleted phase
            DelList = [itm[1] for itm in DelList]
            item, cookie = self.GPXtree.GetFirstChild(subr)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name in DelList:
                    self.GPXtree.Delete(item)
                    if item == selItem: selItem = self.root
                item, cookie = self.GPXtree.GetNextChild(subr, cookie)
        # force redisplay of current tree item if it was not deleted
        self.PickId = 0
        self.PatternId = 0
        self.PickIdText = None
        SelectDataTreeItem(self,selItem)
        wx.CallAfter(self.GPXtree.SelectItem,selItem)
        if consDeleted:
            print('\n',consDeleted,'constraints were deleted')
        
    def OnRenameData(self,event):
        '''Renames an existing histogram. Called by Data/Rename Phase menu.
        Must be used before a histogram is used in a phase.
        '''
        name = self.GPXtree.GetItemText(self.PickId)      
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
        if name in Histograms:
            G2G.G2MessageBox(self,
                'Histogram is used. You must remove it from all phases before it can be renamed',
                'Rename not allowed')
            return
        if 'PWDR' in name or 'HKLF' in name or 'IMG' in name:
            if 'Bank' in name:
                names = name.split('Bank')
                names[1] = ' Bank'+names[1]
            elif 'Azm' in name:
                names = name.split('Azm')
                names[1] = ' Azm'+names[1]
            else:
                names = [name,'']
            dataType = names[0][:names[0].index(' ')+1]                 #includes the ' '
            dlg = G2G.SingleStringDialog(self,'Change tree name',
                    'Data name: '+name,names[0][names[0].index(' ')+1:])
            #if dlg.ShowModal() == wx.ID_OK:
            if dlg.Show():
                name = dataType+dlg.GetValue().strip()+names[1]
                self.GPXtree.SetItemText(self.PickId,name)
                if 'PWDR' in name:
                    self.GPXtree.GetItemPyData(self.PickId)[2] = name
            dlg.Destroy()
        
    def GetFileList(self,fileType,skip=None):        
        ''' Get list of file names containing a particular string; can skip one of known GSAS-II id
        param: fileType str: any string within a file name
        param: skip int:default=None, a GSAS-II assigned id of a data item to skip in collecting the names
        returns: list of file names from GSAS-II tree
        returns: str name of file optionally skipped
        Appears unused, but potentially useful. 
        Note routine of same name in GSASIIpwdGUI; it does not have the skip option
        '''
        fileList = []
        Source = ''
        Id, cookie = self.GPXtree.GetFirstChild(self.root)
        while Id:
            name = self.GPXtree.GetItemText(Id)
            if fileType in name:
                if Id == skip:
                    Source = name
                else:
                    fileList.append([False,name,Id])
            Id, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        if skip:
            return fileList,Source
        else:
            return fileList
            
    def OnDataDelete(self, event):
        '''Delete one or more histograms from data tree. Called by the
        Data/DeleteData menu
        '''
        TextList = []
        DelList = []
        DelItemList = []
        nItems = {'PWDR':0,'SASD':0,'REFD':0,'IMG':0,'HKLF':0,'PDF':0}
        PDFnames = []
        selItem = self.GPXtree.GetSelection()
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
        if not self.GPXtree.GetCount():
            G2G.G2MessageBox(self,'No tree items to be deleted','Nothing to delete')
            return            
        item, cookie = self.GPXtree.GetFirstChild(self.root)
        used = False
        seqUse = False
        while item:
            name = self.GPXtree.GetItemText(item)
            item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
            if name in ['Notebook','Controls','Covariance','Constraints',
                'Restraints','Phases','Rigid bodies','Hist/Phase']:
                continue
            if 'Sequential' in name:
                continue
            if name in self.testSeqRefineMode():
                seqUse = True
                continue
            if 'PWDR' in name[:4]:
                nItems['PWDR'] += 1
                if name in Histograms:
                    used = True
                    continue
            if 'SASD' in name[:4]: nItems['SASD'] += 1
            if 'REFD' in name[:4]: nItems['REFD'] += 1
            if 'IMG' in name[:3]:  nItems['IMG'] += 1
            if 'HKLF' in name[:4]:
                nItems['HKLF'] += 1
                if name in Histograms:
                    used = True
                    continue
            if 'PDF' in name[:3]:
                PDFnames.append(name)
                nItems['PDF'] += 1
            TextList.append(name)
        for pdfName in PDFnames:
            try:
                TextList.remove('PWDR'+pdfName[4:])
            except ValueError:
                print (u'PWDR'+pdfName[4:]+u' for '+pdfName+u' not found')
        if len(TextList) == 0:
            if used:
                msg = 'All histograms are associated with at least one phase. You must unset a histogram "use" flag in all phase(s) where it is referenced before it can be deleted'
            elif seqUse:
                msg = 'All histograms are in used in the sequential list. You must remove it from the list (in Controls) before it can be deleted'
            else:
                msg = 'No data items found in tree to delete'
            G2G.G2MessageBox(self,msg,'Nothing to delete')
            return
        dlg = G2G.G2MultiChoiceDialog(self, 'Which data to delete?', 'Delete data', TextList, wx.CHOICEDLG_STYLE)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                result = dlg.GetSelections()
                for i in result: DelList.append(TextList[i])
                item, cookie = self.GPXtree.GetFirstChild(self.root)
                while item:
                    itemName = self.GPXtree.GetItemText(item)
                    if itemName in DelList:
                        if 'PWDR' in itemName[:4]: nItems['PWDR'] -= 1
                        elif 'SASD' in itemName[:4]: nItems['SASD'] -= 1
                        elif 'REFD' in itemName[:4]: nItems['REFD'] -= 1
                        elif 'IMG' in itemName[:3]: nItems['IMG'] -= 1
                        elif 'HKLF' in itemName[:4]: nItems['HKLF'] -= 1
                        elif 'PDF' in itemName[:3]: nItems['PDF'] -= 1
                        DelItemList.append(item)
                    item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
                for item in DelItemList:
                    self.GPXtree.Delete(item)
                    if item == selItem: selItem = self.root
                if DelList:
                    self.PickId = 0
                    self.PickIdText = None
                    self.PatternId = 0
                    if nItems['PWDR']:
                        wx.CallAfter(G2plt.PlotPatterns,self,True)
                    else:
                        self.G2plotNB.Delete('Powder Patterns')
                        self.lastPlotType = None
                    if not nItems['IMG']:
                        self.G2plotNB.Delete('2D Powder Image')
                    if not nItems['HKLF']:
                        self.G2plotNB.Delete('Structure Factors')
                        if '3D Structure Factors' in self.G2plotNB.plotList:
                            self.G2plotNB.Delete('3D Structure Factors')
        finally:
            dlg.Destroy()
        if DelList:
            SelectDataTreeItem(self,selItem)
            try: # fails if previously selected item is deleted
                self.GPXtree.UpdateSelection()
            except:            
                self.GPXtree.SelectItem(self.root)
                
    def OnPlotDelete(self,event):
        '''Delete one or more plots from plot window. Called by the
        Data/DeletePlots menu
        '''
        plotNames = self.G2plotNB.plotList
        if len(plotNames):
            dlg = G2G.G2MultiChoiceDialog(self, 'Which plots to delete?', 'Delete plots', plotNames, wx.CHOICEDLG_STYLE)
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    result = dlg.GetSelections()
                    result.sort(reverse=True)
                    for i in result: 
                        self.G2plotNB.Delete(plotNames[i])
            finally:
                dlg.Destroy()
                
    def OnDeleteSequential(self,event):
        ''' Delete any sequential results table. Called by the Data/Delete sequential results menu
        '''
        selItem = self.GPXtree.GetSelection()
        SeqList = []
        DelList = []
        item, cookie = self.GPXtree.GetFirstChild(self.root)
        while item:
            name = self.GPXtree.GetItemText(item)
            if 'Sequential' in name:
                SeqList.append(name)
            item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        if not len(SeqList):
            G2G.G2MessageBox(self,'No tree items to be deleted','Nothing to delete')
            return
        dlg = G2G.G2MultiChoiceDialog(self, 'Which sequential results to delete?', 'Delete seq resulta', SeqList, wx.CHOICEDLG_STYLE)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                result = dlg.GetSelections()
        finally:
            dlg.Destroy()
        DelList = [SeqList[i] for i in result]
        if not len(DelList):
            G2G.G2MessageBox(self,'No tree items selected','Nothing deleted')
            return
        item, cookie = self.GPXtree.GetFirstChild(self.root)
        while item:
            itemName = self.GPXtree.GetItemText(item)
            if itemName in DelList:
                self.GPXtree.Delete(item)
                if item == selItem: selItem = self.root
            item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        SelectDataTreeItem(self,selItem)
        self.GPXtree.UpdateSelection()

    def OnFileReopen(self, event):
        ''' Creates a dialog box showing previously opened GSAS-II projects & offers to open one
        called by File/Reopen recent... menu item
        '''
        files = GSASIIpath.GetConfigValue('previous_GPX_files')
        if not files:
            print('no previous projects found')
            return
        sellist = []
        keeplist = []
        try:
            for f in files:
                dirname,filroot = os.path.split(f)
                if os.path.exists(f) and '.gpx' in f:
                    sellist.append("{} from {}".format(filroot,dirname))
                    keeplist.append(f)
        except:
            print('Error processing previous project list:',files)
        if len(keeplist) == 0:
            GSASIIpath.SetConfigValue({'previous_GPX_files':tuple([])})
            return
        dlg = G2G.G2SingleChoiceDialog(self,'Select previous project to open',
            'Select project',sellist)
        dlg.CenterOnParent()
        if dlg.ShowModal() == wx.ID_OK:
            sel = dlg.GetSelection()
            dlg.Destroy()
        else:
            dlg.Destroy()
            return
        filroot,dirname = sellist[sel].split(' from ')
        f = os.path.join(dirname,filroot)
        if os.path.exists(f):
            self.OnFileOpen(event, filename=f)
            self.LastGPXdir = dirname
        else:
            print('file not found',f)        
        
    def OnFileReread(self, event):
        '''reread the current GPX file; no questions asked -- no save
        for development purposes.
        '''
        def _setStart(nameParent,name):
            '''Reload the last selected tree item by name'''
            start = self.root
            if GetGPXtreeItemId(self,self.root,nameParent):
                start = GetGPXtreeItemId(self,self.root,nameParent)
            Id = GetGPXtreeItemId(self,start,name)
            #breakpoint()
            self.GPXtree.SelectItem(Id)
            SelectDataTreeItem(self,Id)
        Id = self.GPXtree.GetSelection()
        parent = self.GPXtree.GetItemParent(Id)
        name = self.GPXtree.GetItemText(Id)
        nameParent = self.GPXtree.GetItemText(parent)
        f = os.path.join(self.LastGPXdir,self.GSASprojectfile)
        if os.path.exists(f):
            self.OnFileOpen(event, filename=f, askSave=False)
        else:
            print('file not found',f)
        wx.CallLater(100,_setStart,nameParent,name)
        
    def _SaveOld(self,askSave=True):
        '''See if we should save current project and continue 
        to read another.
        returns True if the project load should continue
        '''
        if self.dataWindow:
            self.dataWindow.ClearData()
        if self.dataWindow and askSave:
            dlg = wx.MessageDialog(self,
                    'Do you want to save and replace the current project?\n'
                    '(Use No to read without saving or Cancel to continue '
                    'with current project)',
                'Save & Overwrite?',
                wx.YES|wx.NO|wx.CANCEL)
            try:
                result = dlg.ShowModal()
            finally:
                dlg.Destroy()
            if result == wx.ID_NO:
                result = True
            elif result == wx.ID_CANCEL:
                return False
            else:
                if not self.OnFileSave(None):
                    return False
        self.GPXtree.DeleteChildren(self.root)
        self.GSASprojectfile = ''
        self.HKL = []
        self.Extinct = []
        if self.G2plotNB.plotList:
            self.G2plotNB.clear()
        return True
        
    def OnFileOpen(self, event, filename=None, askSave=True):
        '''Gets a GSAS-II .gpx project file in response to the
        File/Open Project menu button
        '''
        
        def GetGPX():
            if self.LastGPXdir:
                pth = self.LastGPXdir
            else:
                pth = '.'
            #if GSASIIpath.GetConfigValue('debug'): print('debug: open from '+pth)
            dlg = wx.FileDialog(self, 'Choose GSAS-II project file', pth, 
                wildcard='GSAS-II project file (*.gpx)|*.gpx',style=wx.FD_OPEN)
            try:
                if dlg.ShowModal() != wx.ID_OK: return
                self.GSASprojectfile = dlg.GetPath()
                self.GSASprojectfile = G2IO.FileDlgFixExt(dlg,self.GSASprojectfile)
                self.LastGPXdir = dlg.GetDirectory()
            finally:
                dlg.Destroy()
            
        self.EnablePlot = False
        if self.GPXtree.GetChildrenCount(self.root,False):
            if not self._SaveOld(askSave=askSave): return

        if not filename:
            GetGPX()
            filename = self.GSASprojectfile
        else:
            try:
                self.GSASprojectfile = os.path.splitext(filename)[0]+u'.gpx'
            except:
                self.GSASprojectfile = os.path.splitext(filename)[0]+'.gpx'
            self.dirname = os.path.split(filename)[0]

#        if self.G2plotNB.plotList:
#            self.G2plotNB.clear()
        self.init_vars()
        try:
            self.StartProject()         #open the file if possible
        except:
            print ('\nError opening file '+filename)
            import traceback
            print (traceback.format_exc())

    def OnFileBrowse(self, event):
        '''Gets a GSAS-II .gpx project using the GPX browser, in response 
        to the File/"Open Project browser" menu button 
        '''        
        self.EnablePlot = False
        if self.LastGPXdir:
            pth = self.LastGPXdir
        else:
            pth = '.'

        try:
            dlg = G2G.gpxFileSelector(parent=self,startdir=pth)
            if wx.ID_OK == dlg.ShowModal():
                filename = dlg.Selection
            else:
                return
        finally:
            dlg.Destroy()
        
        if self.GPXtree.GetChildrenCount(self.root,False):
            if not self._SaveOld(): return # cancel was entered; nothing changed
        self.GSASprojectfile = filename
        self.LastGPXdir = os.path.split(os.path.abspath(filename))[0]

        self.init_vars()
        try:
            self.StartProject()         #open the file if possible
        except:
            print ('\nError opening file '+filename)
            import traceback
            print (traceback.format_exc())

            
    def StartProject(self):
        '''Opens a GSAS-II project file & selects the 1st available data set to 
        display (PWDR, HKLF, REFD or SASD)
        '''

        Id = 0
        phaseId = None
        seqId = None
        G2IO.ProjFileOpen(self)
        self.GPXtree.SetItemText(self.root,'Project: '+self.GSASprojectfile)
        self.GPXtree.Expand(self.root)
        self.HKL = []
        self.Extinct = []
        item, cookie = self.GPXtree.GetFirstChild(self.root)
        while item:
            name = self.GPXtree.GetItemText(item)
            if name[:4] in ['PWDR','HKLF','IMG ','PDF ','SASD','REFD']:
                if not Id:
                    if name[:4] == 'IMG ':
                        Id = GetGPXtreeItemId(self,item,'Image Controls')
                    else:
                        Id = item
            elif name.startswith("Sequential") and self.testSeqRefineMode():
                seqId = item
            elif name == "Phases":
                phaseId = item
            elif name == 'Controls':
                data = self.GPXtree.GetItemPyData(item)
                if data:
                    for item in self.Refine: item.Enable(True)
            item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        if phaseId: # show all phases
            self.GPXtree.Expand(phaseId)
        if seqId:
            self.EnablePlot = True
            SelectDataTreeItem(self,seqId)
            self.GPXtree.SelectItem(seqId)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
        elif Id:
            self.EnablePlot = True
            self.GPXtree.Expand(Id)
            SelectDataTreeItem(self,Id)
            self.GPXtree.SelectItem(Id)  # needed on OSX or item is not selected in tree; perhaps not needed elsewhere
        elif phaseId:
            Id = phaseId
            # open 1st phase
            Id, unused = self.GPXtree.GetFirstChild(phaseId)
            SelectDataTreeItem(self,Id)
            self.GPXtree.SelectItem(Id) # as before for OSX
        self.CheckNotebook()
        if self.dirname: os.chdir(self.dirname)           # to get Mac/Linux to change directory!
        pth = os.path.split(os.path.abspath(self.GSASprojectfile))[0]
        if GSASIIpath.GetConfigValue('Save_paths'):
            G2G.SaveGPXdirectory(pth,write=False)
        config = G2G.GetConfigValsDocs()
        GSASIIpath.addPrevGPX(self.GSASprojectfile,config)
        G2G.SaveConfigVars(config)
        self.LastGPXdir = pth

    def OnFileClose(self, event):
        '''Clears the data tree in response to the
        File/New Project menu button. User is given option to save
        the project.
        '''
        dlg = wx.MessageDialog(self,
                    'Do you want to save the current project and start with an empty one?\n(Use No to clear without saving or Cancel to continue with current project)',
                    'Save & Clear?',
                    wx.YES | wx.NO | wx.CANCEL)
        try:
            result = dlg.ShowModal()
            if result == wx.ID_OK:
                self.OnFileSaveMenu(event)
            if result != wx.ID_CANCEL:
                self.GSASprojectfile = ''
                self.GPXtree.SetItemText(self.root,'Project: ')
                self.GPXtree.DeleteChildren(self.root)
                self.dataWindow.ClearData()
                if len(self.HKL):
                    self.HKL = []
                    self.Extinct = []
                if self.G2plotNB.plotList:
                    self.G2plotNB.clear()
                self.SetTitleByGPX()
                self.EnableRefineCommand()
                self.init_vars()
                G2obj.IndexAllIds({},{}) # clear old index info
        finally:
            dlg.Destroy()

    def OnFileSave(self, event):
        '''Save the current project in response to the
        File/Save Project menu button
        '''
        
        if self.GSASprojectfile: 
            self.GPXtree.SetItemText(self.root,'Project: '+self.GSASprojectfile)
            self.CheckNotebook()
            G2IO.ProjFileSave(self)
            return True
        else:
            return self.OnFileSaveas(event)
            
    def OnNewGSASII(self, event):
        '''Gets a GSAS-II .gpx project file in response to the
        File/Open new window menu button. Runs only on Mac.
        '''
        if self.LastGPXdir:
            pth = self.LastGPXdir
        else:
            pth = '.'
        GSASprojectfile = ''
        dlg = wx.FileDialog(self, 'Choose GSAS-II project file', pth, 
                wildcard='GSAS-II project file (*.gpx)|*.gpx',style=wx.FD_OPEN)
        try:
            if dlg.ShowModal() == wx.ID_OK: 
                GSASprojectfile = dlg.GetPath()
                if not os.path.exists(GSASprojectfile):
                    print(f'File not found {GSASprojectfile}')
                    dlg.Destroy()
                    return
                self.LastGPXdir = dlg.GetDirectory()
        finally:
            dlg.Destroy()
        G2script = os.path.join(os.path.split(__file__)[0],'GSASII.py')
        #GSASIIpath.MacStartGSASII(G2script,GSASprojectfile)
        G2G.openInNewTerm(GSASprojectfile)
        
    def SetTitleByGPX(self):
        '''Set the title for the two window frames
        '''
        projName = os.path.split(self.GSASprojectfile)[1]
        if not projName: projName = "<unnamed project>"
        if self.testSeqRefineMode():
            s = u' (sequential refinement)'
        else:
            s = u''
        self.SetTitle("GSAS-II project: "+projName + s)
        self.plotFrame.SetTitle("GSAS-II plots: "+projName)

    def OnFileSaveas(self, event):
        '''Save the current project with a new name in response to the
        File/Save as menu button. The current project then has this new name
        '''
        if GSASIIpath.GetConfigValue('Starting_directory'):
            pth = GSASIIpath.GetConfigValue('Starting_directory')
            pth = os.path.expanduser(pth) 
        elif self.LastGPXdir:
            pth = self.LastGPXdir
        else:
            pth = '.'
        dlg = wx.FileDialog(self, 'Choose GSAS-II project file name', pth, self.newGPXfile, 
            'GSAS-II project file (*.gpx)|*.gpx',wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
        try:
            if dlg.ShowModal() == wx.ID_OK:     #TODO: what about Cancel?
                self.GSASprojectfile = dlg.GetPath()
                self.GSASprojectfile = G2IO.FileDlgFixExt(dlg,self.GSASprojectfile)
                self.GPXtree.SetItemText(self.root,'Project: '+self.GSASprojectfile)
                self.CheckNotebook()
                G2IO.ProjFileSave(self)
                self.SetTitleByGPX()
                self.LastGPXdir = dlg.GetDirectory()
                os.chdir(self.LastGPXdir) 
                config = G2G.GetConfigValsDocs()
                GSASIIpath.addPrevGPX(self.GSASprojectfile,config)
                G2G.SaveConfigVars(config)
                return True
            else:
                return False
        finally:
            dlg.Destroy()
            
    def ExpandAll(self,event):
        '''Expand all tree items or those of a single type
        '''
        txt = self.GetMenuBar().GetLabel(event.Id)
        if txt == 'all':
            self.ExpandingAll = True
            try:
                self.GPXtree.ExpandAll()
            finally:
                self.ExpandingAll = False
        else:
            self.ExpandingAll = True
            try:
                item, cookie = self.GPXtree.GetFirstChild(self.root)
                while item:
                    name = self.GPXtree.GetItemText(item)
                    if name.startswith(txt+' '): self.GPXtree.Expand(item)
                    item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
            finally:
                self.ExpandingAll = False

    def MoveTreeItems(self,event):
        '''Move tree items of a single type to the end of the tree
        '''
        txt = self.GetMenuBar().GetLabel(event.Id)
        # make a list of items to copy
        copyList = []
        item, cookie = self.GPXtree.GetFirstChild(self.root)
        while item:
            if self.GPXtree.GetItemText(item).startswith(txt+' '):
                copyList.append(item)
            item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        
        self.ExpandingAll = True
        try:
            for item in copyList:
                name = self.GPXtree.GetItemText(item)
                newId = self.GPXtree.AppendItem(self.root,name)
                self.GPXtree.SetItemPyData(newId,self.GPXtree.GetItemPyData(item))
                chld, chldcookie = self.GPXtree.GetFirstChild(item)
                while chld:
                    chname = self.GPXtree.GetItemText(chld)
                    newCh = self.GPXtree.AppendItem(newId,chname)
                    self.GPXtree.SetItemPyData(newCh,self.GPXtree.GetItemPyData(chld))
                    chld, chldcookie = self.GPXtree.GetNextChild(item, chldcookie)
                self.GPXtree.Delete(item)
        finally:
            self.ExpandingAll = False
        SelectDataTreeItem(self,self.root)
            
    def ExitMain(self, event):
        '''Called if exit selected or the main window is closed
        rescord last position of data & plot windows; saved to config.py file
        NB: not called if console window closed
        '''
        if self.GPXtree.GetCount() > 1:
            dlg = wx.MessageDialog(self,
                    'Do you want to save and exit?\n(Use No to exit without save or Cancel to prevent exiting)',
                    'Confirm exit/save?',
                    wx.YES|wx.NO|wx.CANCEL)
            try:
                dlg.CenterOnParent()
                result = dlg.ShowModal()
            finally:
                dlg.Destroy()
        else:
            result = wx.ID_NO
        if result == wx.ID_NO:
            pass
        elif result == wx.ID_CANCEL:
            return
        else:
            if not self.OnFileSave(event): return
        try:
            FrameInfo = {'Main_Pos':tuple(self.GetPosition()),
                     'Main_Size':tuple(self.GetSize()),
                     'Plot_Pos':tuple(self.plotFrame.GetPosition()),
                     'Plot_Size':tuple(self.plotFrame.GetSize())}
            GSASIIpath.SetConfigValue(FrameInfo)
            config = G2G.GetConfigValsDocs()
            G2G.SaveConfigVars(config)
        except:
            print('Config save failed')
        if self.G2plotNB:
            self.G2plotNB.Destroy()
        if self.undofile and os.path.exists(self.undofile): 
            os.remove(self.undofile)
        sys.exit()
        
    def OnExportMTZ(self,event):
        ''' exports MTZ file from macromoleculat Reflection Lists in multiple histograms
        '''
        
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
        MTZok = False
        for phase in Phases:
            Phase = Phases[phase]
            General = Phase['General']
            if 'macro' in General['Type']:    #really ought to be just one
                SGData = General['SGData']
                Cell = General['Cell'][1:7]
                MTZok = True
                break
        if not MTZok:
            wx.MessageBox('No macromolecular phase found; no MTZ file created',caption='No macromolecular phase',
                style=wx.ICON_EXCLAMATION)
            return
        header = 'Select histograms for MTZ file:'
        histList = [item for item in Histograms]
        od = {'label_1':'Export Fo^2','value_1':False,}
        dlg = G2G.G2MultiChoiceDialog(self,header,'Add to MTZ',histList,extraOpts=od)
        result = None
        if dlg.ShowModal() == wx.ID_OK:
            result = dlg.GetSelections()
        dlg.Destroy()
        if not result: return
        useHist = [histList[item] for item in result]
        useFo = not od['value_1']
        nDif = len(useHist)
        nCol = 4*nDif+3
        refDict = {}
        Hrange = [1000,-1000]
        Krange = [1000,-1000]
        Lrange = [1000,-1000]
        dRange = [10000.,0.0]
        IoRange = [[10000.0,0.0] for i in range(nDif)]
        IcRange = [[10000.0,0.0] for i in range(nDif)]
        SigRange = [[10000.0,0.0] for i in range(nDif)]
        
        for ih,hist in enumerate(useHist):
            Refset = Histograms[hist]['Reflection Lists'][General['Name']]['RefList']
            for ref in Refset:
                Hrange[0] = min(ref[0],Hrange[0])
                Hrange[1] = max(ref[0],Hrange[1])
                Krange[0] = min(ref[1],Krange[0])
                Krange[1] = max(ref[1],Krange[1])
                Lrange[0] = min(ref[2],Lrange[0])
                Lrange[1] = max(ref[2],Lrange[1])
                dRange[0] = min(ref[4],dRange[0])
                dRange[1] = max(ref[4],dRange[1])
                if useFo:
                    IoRange[ih][0] = min(np.sqrt(ref[8]),IoRange[ih][0])
                    IoRange[ih][1] = max(np.sqrt(ref[8]),IoRange[ih][1])
                    SigRange[ih][0] = min(np.sqrt(ref[8])/2.,SigRange[ih][0])
                    SigRange[ih][1] = max(np.sqrt(ref[8])/2.,SigRange[ih][1])
                    IcRange[ih][0] = min(np.sqrt(ref[9]),IcRange[ih][0])
                    IcRange[ih][1] = max(np.sqrt(ref[9]),IcRange[ih][1])
                else:
                    IoRange[ih][0] = min(ref[8],IoRange[ih][0])
                    IoRange[ih][1] = max(ref[8],IoRange[ih][1])
                    SigRange[ih][0] = min(np.sqrt(ref[8]),SigRange[ih][0])
                    SigRange[ih][1] = max(np.sqrt(ref[8]),SigRange[ih][1])
                    IcRange[ih][0] = min(ref[9],IcRange[ih][0])
                    IcRange[ih][1] = max(ref[9],IcRange[ih][1])
                hklStr = '%5d%5d%5d'%(ref[0],ref[1],ref[2])
                if useFo:
                    rec = {ih:np.array([np.sqrt(ref[8]),np.sqrt(ref[8])/2.,np.sqrt(ref[9]),ref[10]],dtype=np.float32)}
                else:
                    rec = {ih:np.array([ref[8],np.sqrt(ref[8]),ref[9],ref[10]],dtype=np.float32)}
                if hklStr in refDict:
                    refDict[hklStr].update(rec)
                else:
                    refDict[hklStr] = rec
            nRef = len(refDict)
        #set up header stuff
        Header = '%s'%('VERS MTZ:V1.1'.ljust(80))
        Header += ('TITLE %s'%(General['Name'])).ljust(80)
        Header += ('NCOL %10d%10d%10d'%(nCol,nRef,0)).ljust(80)
        Header += ('CELL %9.4f%9.4f%9.4f%9.4f%9.4f%9.4f'%(Cell[0],Cell[1],Cell[2],Cell[3],Cell[4],Cell[5])).ljust(80)
        Header += 'SORT    1   2   3   0   0'.ljust(80)
        Nops = len(SGData['SGOps'])
        Ncent = len(SGData['SGCen'])
        SGSym = SGData['SpGrp']
        SGnum = G2spc.SpaceGroupNumber(SGSym)
        Header += ("SYMINF %6d%6d %s %6d '%s' PG%s"%(Nops*Ncent,Nops,SGSym[0],SGnum,SGSym,SGData['SGPtGrp'])).ljust(80)
        SGtext,SGTable = G2spc.SGPrint(SGData)
        textOps = G2spc.TextOps(SGtext,SGTable,reverse=True)
        for ops in textOps:
            Header += ('SYMM  %s'%ops.upper()).ljust(80)
        Header += ('RESO  %.8f  %.8f '%(1./dRange[1]**2,1./dRange[0]**2)).ljust(80)
        Header += 'VALM NAN'.ljust(80)
        Header += ('COLUMN %s H%18d%18d'%('H'.ljust(30),Hrange[0],Hrange[1])).ljust(79)+'0'
        Header += ('COLUMN %s H%18d%18d'%('K'.ljust(30),Krange[0],Krange[1])).ljust(79)+'0'
        Header += ('COLUMN %s H%18d%18d'%('L'.ljust(30),Lrange[0],Lrange[1])).ljust(79)+'0'
        for ih,hist in enumerate(useHist):
            hname = hist.split()[1].split('.')[0]
            if useFo:
                Header += ('COLUMN %s F%18.4f%18.4f'%(('F_'+hname).ljust(30),IoRange[ih][0],IoRange[ih][1])).ljust(78)+'%2d'%(ih+1)
                Header += ('COLUMN %s Q%18.8f%18.8f'%(('SIGFP_'+hname).ljust(30),SigRange[ih][0],SigRange[ih][1])).ljust(78)+'%2d'%(ih+1)
                Header += ('COLUMN %s F%18.4f%18.4f'%(('FC_'+hname).ljust(30),IcRange[ih][0],IcRange[ih][1])).ljust(78)+'%2d'%(ih+1)
            else:
                Header += ('COLUMN %s J%18.4f%18.4f'%(('I_'+hname).ljust(30),IoRange[ih][0],IoRange[ih][1])).ljust(78)+'%2d'%(ih+1)
                Header += ('COLUMN %s Q%18.8f%18.8f'%(('SIGI_'+hname).ljust(30),SigRange[ih][0],SigRange[ih][1])).ljust(78)+'%2d'%(ih+1)
                Header += ('COLUMN %s J%18.4f%18.4f'%(('IC_'+hname).ljust(30),IcRange[ih][0],IcRange[ih][1])).ljust(78)+'%2d'%(ih+1)
            Header += ('COLUMN %s P%18.4f%18.4f'%(('PHIC_'+hname).ljust(30),-180.0,180.)).ljust(78)+'%2d'%(ih+1)
        Header += ('NDIF %10d'%nDif).ljust(80)
        projName = os.path.split(self.GSASprojectfile)[1]
        for iH,hist in enumerate(useHist):
            hname = hist.split()[1].split('.')[0]
            Iparm = Histograms[hist]['Instrument Parameters'][0]
            wave = G2mth.getWave(Iparm)
            cell = G2lat.CellDijCorr(Cell,SGData,Phase['Histograms'],hist)
            Header += ('PROJECT %7d %s'%(iH+1,projName)).ljust(80)
            Header += ('CRYSTAL %7d %s'%(iH+1,General['Name'])).ljust(80)
            Header += ('DATASET %7d %s'%(iH+1,hname)).ljust(80)
            Header += ('DCELL   %7d %10.4f%10.4f%10.4f%10.4f%10.4f%10.4f'   \
                %(iH+1,cell[0],cell[1],cell[2],cell[3],cell[4],cell[5])).ljust(80) # not correct- sholud include Dijs
            Header += ('DWAVE   %7d %10.5f'%(iH+1,wave)).ljust(80)
        Header += ('END'.ljust(80))
        Header += ('Created by GSAS-II on %s'%time.ctime()).ljust(80)
        Header += ('MTZENDOFHEADER'.ljust(80))
        
        if useFo:
            fName = General['Name'].replace(' ','_')+'F.mtz'
        else:
            fName = General['Name'].replace(' ','_')+'F2.mtz'
        MTZ = open(fName,'wb')
        MTZ.write(st.pack('4sl2s70x',b'MTZ ',21+nCol*nRef,b'DA'))
        
        for ref in refDict:
            rec = [float(i) for i in ref.split()]
            refData = refDict[ref]
            for i in range(nDif):
                if i in refData:
                    rec += list(refData[i])
                else:
                    rec += [np.nan,np.nan,np.nan,np.nan]
            string = b''
            for item in rec:
                string += st.pack('f',item)
            MTZ.write(string)
        MTZ.write(Header.encode())
        MTZ.close()
        print('MTZ file %s written'%fName)
        
    def OnExportPeakList(self,event):
        '''Exports a PWDR peak list as a text file
        '''
        pth = G2G.GetExportPath(self)
        dlg = wx.FileDialog(self, 'Choose output peak list file name', pth, '', 
            '(*.*)|*.*',wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                self.peaklistfile = dlg.GetPath()
                self.peaklistfile = G2IO.FileDlgFixExt(dlg,self.peaklistfile)
                file = open(self.peaklistfile,'w')                
                item, cookie = self.GPXtree.GetFirstChild(self.root)
                while item:
                    name = self.GPXtree.GetItemText(item)
                    if 'PWDR' in name:
                        item2, cookie2 = self.GPXtree.GetFirstChild(item)
                        wave = 0.0
                        while item2:
                            name2 = self.GPXtree.GetItemText(item2)
                            if name2 == 'Instrument Parameters':
                                Inst = self.GPXtree.GetItemPyData(item2)[0]
                                Type = Inst['Type'][0]
                                if 'T' not in Type:
                                    wave = G2mth.getWave(Inst)
                            elif name2 == 'Peak List':
                                pkdata = self.GPXtree.GetItemPyData(item2)
                                peaks = pkdata['peaks']
                                sigDict = pkdata['sigDict']
                            item2, cookie2 = self.GPXtree.GetNextChild(item, cookie2)                            
                        file.write("#%s \n" % (name+' Peak List'))
                        if wave:
                            file.write('#wavelength = %10.6f\n'%(wave))
                        if 'T' in Type:
                            file.write('#%9s %10s %10s %12s %10s %10s %10s %10s %10s %10s\n'%('pos','dsp','esd','int','esd','alp','bet','sig','gam','FWHM'))                                    
                        else:
                            file.write('#%9s %10s %10s %12s %10s %10s %10s %10s\n'%('pos','dsp','esd','int','esd','sig','gam','FWHM'))
                        for ip,peak in enumerate(peaks):
                            dsp = G2lat.Pos2dsp(Inst,peak[0])
                            if 'T' in Type:  #TOF - more cols
                                esds = {'pos':0.,'int':0.,'alp':0.,'bet':0.,'sig':0.,'gam':0.}
                                for name in list(esds.keys()):
                                    esds[name] = sigDict.get('%s%d'%(name,ip),0.)
                                sig = np.sqrt(peak[8])
                                gam = peak[10]
                                esddsp = abs(G2lat.Pos2dsp(Inst,peak[0]-esds['pos'])-G2lat.Pos2dsp(Inst,peak[0]+esds['pos']))/2.
                                FWHM = G2pwd.getgamFW(gam,sig) +(peak[4]+peak[6])*np.log(2.)/(peak[4]*peak[6])     #to get delta-TOF from Gam(peak)
                                file.write("%10.2f %10.5f %10.5f %12.2f%10.2f %10.3f %10.3f %10.3f %10.3f %10.3f\n" % \
                                    (peak[0],dsp,esddsp,peak[2],esds['int'],peak[4],peak[6],peak[8],peak[10],FWHM))
                            else:               #CW
                                #get esds from sigDict for each peak & put in output - esds for sig & gam from UVWXY?
                                esds = {'pos':0.,'int':0.,'sig':0.,'gam':0.}
                                for name in list(esds.keys()):
                                    esds[name] = sigDict.get('%s%d'%(name,ip),0.)
                                sig = np.sqrt(peak[4]) #var -> sig
                                gam = peak[6]
                                esddsp = abs(G2lat.Pos2dsp(Inst,peak[0]-esds['pos'])-G2lat.Pos2dsp(Inst,peak[0]+esds['pos']))/2.
                                FWHM = G2pwd.getgamFW(gam,sig)      #to get delta-2-theta in deg. from Gam(peak)
                                file.write("%10.4f %10.5f %10.5f %12.2f %10.2f %10.5f %10.5f %10.5f \n" % \
                                    (peak[0],dsp,esddsp,peak[2],esds['int'],np.sqrt(max(0.0001,peak[4]))/100.,peak[6]/100.,FWHM/100.)) #convert to deg
                    item, cookie = self.GPXtree.GetNextChild(self.root, cookie)                            
                file.close()
        finally:
            dlg.Destroy()
        
    def OnExportHKL(self,event):
        '''Exports a PWDR reflection list as a text file
        '''
        pth = G2G.GetExportPath(self)
        dlg = wx.FileDialog(self, 'Choose output reflection list file name', pth, '', 
            '(*.*)|*.*',wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                self.peaklistfile = dlg.GetPath()
                self.peaklistfile = G2IO.FileDlgFixExt(dlg,self.peaklistfile)
                file = open(self.peaklistfile,'w')                
                item, cookie = self.GPXtree.GetFirstChild(self.root)
                while item:
                    name = self.GPXtree.GetItemText(item)
                    if 'PWDR' in name:
                        item2, cookie2 = self.GPXtree.GetFirstChild(item)
                        while item2:
                            name2 = self.GPXtree.GetItemText(item2)
                            if name2 == 'Reflection Lists':
                                data = self.GPXtree.GetItemPyData(item2)
                                phases = data.keys()
                                for phase in phases:
                                    peaks = data[phase]
                                    I100 = peaks['RefList'].T[8]*np.array([refl[11] for refl in peaks['RefList']])
                                    Imax = np.max(I100)
                                    if Imax:
                                        I100 *= 100.0/Imax
                                    file.write("%s %s %s \n" % (name,phase,' Reflection List'))
                                    if 'T' in peaks.get('Type','PXC'):
                                        file.write('%s \n'%('   h   k   l   m   d-space       TOF       wid     Fo**2     Fc**2     Icorr      Prfo     Trans      ExtP      I100'))
                                    else:                
                                        file.write('%s \n'%('   h   k   l   m   d-space   2-theta       wid     Fo**2     Fc**2     Icorr      Prfo     Trans      ExtP      I100'))
                                    for ipk,peak in enumerate(peaks['RefList']):
                                        if 'T' in peaks.get('Type','PXC'):
                                            sig = np.sqrt(peak[6])
                                            gam = peak[7]
                                            FWHM = G2pwd.getgamFW(gam,sig)
                                            file.write(" %3d %3d %3d %3d%10.5f%10.2f%10.5f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" % \
                                                (int(peak[0]),int(peak[1]),int(peak[2]),int(peak[3]),peak[4],peak[5],FWHM,peak[8],
                                                peak[9],peak[11],peak[12],peak[13],peak[14],I100[ipk]))
                                        else:
                                            sig = np.sqrt(peak[6])
                                            gam = peak[7]
                                            FWHM = G2pwd.getgamFW(gam,sig)
                                            file.write(" %3d %3d %3d %3d%10.5f%10.5f%10.5f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f%10.3f\n" % \
                                                (int(peak[0]),int(peak[1]),int(peak[2]),int(peak[3]),peak[4],peak[5],FWHM/100.,
                                                peak[8],peak[9],peak[11],peak[12],peak[13],peak[14],I100[ipk]))
                            item2, cookie2 = self.GPXtree.GetNextChild(item, cookie2)                            
                    item, cookie = self.GPXtree.GetNextChild(self.root, cookie)                            
                file.close()
        finally:
            dlg.Destroy()
        
    def OnExportPDF(self,event):
        'Save S(Q), G(R),... as selected by user'
        def PDFSave(G2frame,exports,PDFsaves):
            'Save a PDF I(Q), S(Q), F(Q), G(r) and g(r)  in column formats'
            if len(exports) > 1:
                dirname = G2G.askSaveDirectory(G2frame)
                if not dirname: return
            else:
                defnam = exports[0].replace(' ','_')[5:]
                filename = G2G.askSaveFile(G2frame,defnam,'.gr','G(r) file, etc.')
                if not filename: return
                dirname,filename = os.path.split(filename)
                filename = os.path.splitext(filename)[0]
            Inst = None
            Limits = None
            for export in exports:
                if len(exports) > 1:
                    filename = export.replace(' ','_')[5:]
                PickId = GetGPXtreeItemId(G2frame, G2frame.root, export)
                PDFControls = G2frame.GPXtree.GetItemPyData(
                    GetGPXtreeItemId(G2frame, PickId,'PDF Controls'))
                if PDFsaves[4]: #pdfGUI file for G(R)
                    pId = GetGPXtreeItemId(G2frame, G2frame.root, 'PWDR'+export[4:])
                    Inst = G2frame.GPXtree.GetItemPyData(
                        GetGPXtreeItemId(G2frame, pId,'Instrument Parameters'))[0]
                    Limits = G2frame.GPXtree.GetItemPyData(
                        GetGPXtreeItemId(G2frame, pId,'Limits'))
                G2fil.PDFWrite(export,os.path.join(dirname,filename),
                            PDFsaves,PDFControls,Inst,Limits)
        
        names = G2pdG.GetFileList(self,'PDF')
        exports = []
        if names:
            od = {'label_1':'Export I(Q)','value_1':False,'label_2':'Export S(Q)','value_2':False,
                  'label_3':'Export F(Q)','value_3':False,'label_4':'Export G(R)','value_4':True,
                  'label_5':'Make G(R) for pdfGUI','value_5':False,
                  'label_6':'Make F(Q) & g(r) for RMCProfile','value_6':False}
            dlg = G2G.G2MultiChoiceDialog(self,'Select','PDF patterns to export',names,extraOpts=od)
            if dlg.ShowModal() == wx.ID_OK:
                sel = dlg.GetSelections()
                for x in sel:
                    exports.append(names[x])
            dlg.Destroy()
        if exports:
            PDFsaves = [od['value_1'],od['value_2'],od['value_3'],od['value_4'],od['value_5'],od['value_6']]
            PDFSave(self,exports,PDFsaves)
        
    def OnMakePDFs(self,event):
        '''Sets up PDF data structure filled with defaults; if found chemical formula is inserted
        so a default PDF can be made.
        '''
        sind = lambda x: math.sin(x*math.pi/180.)
        tth2q = lambda t,w:4.0*math.pi*sind(t/2.0)/w
        tof2q = lambda t,C:2.0*math.pi*C/t
        TextList = []
        ElLists = []
        Qlimits = []
        Names = []
        if self.GPXtree.GetCount():
            Id, cookie = self.GPXtree.GetFirstChild(self.root)
            while Id:
                name = self.GPXtree.GetItemText(Id)
                Names.append(name)
                if 'PWDR' in name:
                    TextList.append(name)
                    Data = self.GPXtree.GetItemPyData(Id)[1]
                    pwdrMin = np.min(Data[1])
                    Comments = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,Id,'Comments'))
                    Parms = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,Id,'Instrument Parameters'))[0]
                    fullLimits = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,Id,'Limits'))[0]
                    if 'C' in Parms['Type'][0]:
                        wave = G2mth.getWave(Parms)
                        qMax = tth2q(fullLimits[1],wave)
                    else:   #'T'of
                        qMax = tof2q(fullLimits[0],Parms['difC'][1])
                    Qlimits.append([0.9*qMax,qMax])
                    ElList = {}
                    sumnum = 1.
                    for item in Comments:           #grab chemical formula from Comments
                        if 'formula' in item[:15].lower():
                            formula = item.split('=')[1].strip('"\n').split()
                            try:
                                if len(formula) < 2:
                                    raise ValueError
                                elems = formula[::2]
                                nums = formula[1::2]
                                Formula = zip(elems,nums)
                                sumnum = 0.
                                for [elem,num] in Formula:
                                    ElData = copy.deepcopy(G2elem.GetElInfo(elem,Parms))
                                    ElData['FormulaNo'] = float(num)
                                    sumnum += float(num)
                                    ElList[elem] = ElData
                                
                            except ValueError:
                                G2G.G2MessageBox(self,'Carbon-based (and wrong) PDF will be generated','Missing chemical formula')
                                ElData = copy.deepcopy(G2elem.GetElInfo('C',Parms))
                                sumnum = 1.0
                                ElData['FormulaNo'] = 1.0
                                ElList['C'] = ElData
                    ElLists.append(ElList)
                Id, cookie = self.GPXtree.GetNextChild(self.root, cookie)
            if len(TextList) < 1:
                self.ErrorDialog('Nothing to make PDFs for','There must be at least one "PWDR" pattern')
                return
            dlg = G2G.G2MultiChoiceDialog(self,'Make PDF controls','Make PDF controls for:',TextList, wx.CHOICEDLG_STYLE)
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    for i in dlg.GetSelections():
                        PDFnames = GetGPXtreeDataNames(self,['PDF ',])
                        G2obj.CreatePDFitems(self,TextList[i],ElLists[i],Qlimits[i],sumnum,pwdrMin,PDFnames)
                for item in self.ExportPDF: item.Enable(True)
            finally:
                dlg.Destroy()
                
    def GetPWDRdatafromTree(self,PWDRname):
        ''' Returns powder data from GSASII tree

        :param str PWDRname: a powder histogram name as obtained from
          :meth:`GSASIIstruct.GetHistogramNames`

        :returns: PWDRdata = powder data dictionary with
          Powder data arrays, Limits, Instrument Parameters,
          Sample Parameters            
        '''
        PWDRdata = {}
        try:
            PWDRdata.update(self.GPXtree.GetItemPyData(PWDRname)[0])            #wtFactor + ?
        except ValueError:
            PWDRdata['wtFactor'] = 1.0
        PWDRdata['Data'] = self.GPXtree.GetItemPyData(PWDRname)[1]          #powder data arrays
        PWDRdata['Limits'] = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,PWDRname,'Limits'))
        PWDRdata['Background'] = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,PWDRname,'Background'))
        PWDRdata['Instrument Parameters'] = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,PWDRname,'Instrument Parameters'))
        PWDRdata['Sample Parameters'] = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,PWDRname,'Sample Parameters'))
        PWDRdata['Reflection Lists'] = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,PWDRname,'Reflection Lists'))
        if 'ranId' not in PWDRdata:  # patch, add a random Id
            PWDRdata['ranId'] = ran.randint(0,sys.maxsize)
        if 'ranId' not in PWDRdata['Sample Parameters']:  # I hope this becomes obsolete at some point
            PWDRdata['Sample Parameters']['ranId'] = PWDRdata['ranId']
        return PWDRdata

    def GetHKLFdatafromTree(self,HKLFname):
        ''' Returns single crystal data from GSASII tree

        :param str HKLFname: a single crystal histogram name as obtained
          from
          :meth:`GSASIIstruct.GetHistogramNames`

        :returns: HKLFdata = single crystal data list of reflections

        '''
        HKLFdata = {}
        HKLFdata.update(self.GPXtree.GetItemPyData(HKLFname)[0])            #wtFactor + ?
#        try:
#            HKLFdata.update(self.GPXtree.GetItemPyData(HKLFname)[0])            #wtFactor + ?
#        except ValueError:
#            HKLFdata['wtFactor'] = 1.0
        HKLFdata['Data'] = self.GPXtree.GetItemPyData(HKLFname)[1]
        HKLFdata['Instrument Parameters'] = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,HKLFname,'Instrument Parameters'))
        return HKLFdata
        
    def GetPhaseData(self):
        '''Returns a dict with defined phases. 
        Note routine :func:`GSASIIstrIO.GetPhaseData` also exists to
        get same kind of info from GPX file & put in a list of 9 items.
        '''
        phaseData = {}
        if GetGPXtreeItemId(self,self.root,'Phases'):
            sub = GetGPXtreeItemId(self,self.root,'Phases')
        else:
#            print 'no phases found in GetPhaseData'
            sub = None
        if sub:
            item, cookie = self.GPXtree.GetFirstChild(sub)
            while item:
                phaseName = self.GPXtree.GetItemText(item)
                phaseData[phaseName] =  self.GPXtree.GetItemPyData(item)
                if 'ranId' not in phaseData[phaseName]:
                    phaseData[phaseName]['ranId'] = ran.randint(0,sys.maxsize)          
                item, cookie = self.GPXtree.GetNextChild(sub, cookie)
        return phaseData

    def GetPhaseInfofromTree(self, Used=False):
        '''Get the phase names and their rId values,
        also the histograms referenced in each phase. 

        :param bool Used: if Used is True, only histograms that are
            referenced in the histogram are returned
        :returns: (phaseRIdList, usedHistograms) where 

          * phaseRIdList is a list of random Id values for each phase
          * usedHistograms is a dict where the keys are the phase names
            and the values for each key are a list of the histogram names
            used in each phase. 
        '''
        phaseRIdList = []
        usedHistograms = {}
        sub = GetGPXtreeItemId(self,self.root,'Phases')
        if sub:
            item, cookie = self.GPXtree.GetFirstChild(sub)
            while item:
                phaseName = self.GPXtree.GetItemText(item)
                ranId = self.GPXtree.GetItemPyData(item).get('ranId')
                if ranId: phaseRIdList.append(ranId)
                data = self.GPXtree.GetItemPyData(item)
                UseList = data['Histograms']
                if Used:
                    usedHistograms[phaseName] = [h for h in UseList if UseList[h].get('Use',True)]
                else:
                    usedHistograms[phaseName] = list(UseList.keys())
                item, cookie = self.GPXtree.GetNextChild(sub, cookie)
        return phaseRIdList,usedHistograms

    def GetPhaseNames(self):
        '''Returns a list of defined phases. 
        Note routine :func:`GSASIIstrIO.GetPhaseNames` also exists to
        get same info from GPX file.
        '''
        phaseNames = []
        if GetGPXtreeItemId(self,self.root,'Phases'):
            sub = GetGPXtreeItemId(self,self.root,'Phases')
        else:
#            print 'no phases found in GetPhaseNames'
            sub = None
        if sub:
            item, cookie = self.GPXtree.GetFirstChild(sub)
            while item:
                phase = self.GPXtree.GetItemText(item)
                phaseNames.append(phase)
                item, cookie = self.GPXtree.GetNextChild(sub, cookie)
        return phaseNames
    
    def GetHistogramTypes(self):
        """ Returns a list of histogram types found in the GSASII data tree
        
        :return: list of histogram types
        
        """
        HistogramTypes = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name[:4] in ['PWDR','HKLF']:
                    Inst = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,item,'Instrument Parameters'))
                    HistogramTypes.append(Inst[0]['Type'][0])
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        return HistogramTypes
    
    def GetHistogramNames(self,hType):
        """ Returns a list of histogram names found in the GSASII data tree
        Note routine :func:`GSASIIstrIO.GetHistogramNames` also exists to
        get same info from GPX file.
        
        :param str hType: list of histogram types
        :return: list of histogram names
        
        """
        HistogramNames = []
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name[:4] in hType:
                    HistogramNames.append(name)        
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        return HistogramNames
    
    def GetHistogramNamesID(self,hType):
        """ Returns a list of histogram names found in the GSASII data tree
        and a lookup table of their Id values. Should replace GetHistogramNames
        since that will not be much faster (and there may be real speed gains from
        caching the Ids rather than keep searching for them). 

        N.B routine :func:`GSASIIstrIO.GetHistogramNames` also exists to
        get same info, but from GPX file.
        
        :param str hType: list of histogram types
        :return: list of histogram names and a dict of histogram Ids 
           keyed by histogram name.
        """
        HistogramNames = []
        HistogramIds = {}
        if self.GPXtree.GetCount():
            item, cookie = self.GPXtree.GetFirstChild(self.root)
            while item:
                name = self.GPXtree.GetItemText(item)
                if name[:4] in hType:
                    HistogramNames.append(name)        
                    HistogramIds[name] = item
                item, cookie = self.GPXtree.GetNextChild(self.root, cookie)
        return HistogramNames,HistogramIds
                    
    def GetUsedHistogramsAndPhasesfromTree(self):
        ''' Returns all histograms that are found in any phase
        and any phase that uses a histogram.
        This also assigns numbers to used phases and histograms by the
        order they appear in the file. 
        Note routine :func:`GSASIIstrIO.GetUsedHistogramsAndPhases` also exists to
        get same info from GPX file.

        :returns: (Histograms,Phases)

            * Histograms = dictionary of histograms as {name:data,...}
            * Phases = dictionary of phases that use histograms
        '''
        Histograms = {}
        Phases = {}
        phaseNames = self.GetPhaseNames()
        phaseData = self.GetPhaseData()
        histoList,histIdList = self.GetHistogramNamesID(['PWDR','HKLF'])

        badnum = 0
        for phase in phaseData:
            Phase = phaseData[phase]
            pId = phaseNames.index(phase)
            Phase['pId'] = pId
            if Phase['Histograms']:
                for hist in Phase['Histograms']:
                    if 'Use' not in Phase['Histograms'][hist]:      #patch: add Use flag as True
                        Phase['Histograms'][hist]['Use'] = True
                    if Phase['Histograms'][hist]['Use'] and phase not in Phases:
                        Phases[phase] = Phase
                    if (hist not in Histograms) and Phase['Histograms'][hist]['Use']:
                        if hist not in histIdList:
                            if badnum == 0:
                                print('Error: hist {} not found in histIdList. Deleted?'.format(hist))
                            badnum += 1
                            continue
                        item = histIdList[hist]
                        if item:
                            if 'PWDR' in hist[:4]: 
                                Histograms[hist] = self.GetPWDRdatafromTree(item)
                            elif 'HKLF' in hist[:4]:
                                Histograms[hist] = self.GetHKLFdatafromTree(item)
                            hId = histoList.index(hist)
                            Histograms[hist]['hId'] = hId
                        else: # would happen if a referenced histogram were renamed or deleted
                            print(u'For phase "'+phase+
                                  u'" unresolved reference to histogram "'+hist+u'"')
        if badnum > 1: print('  ...hist not in histIdList error occured {} times'.format(badnum))
        G2obj.IndexAllIds(Histograms=Histograms,Phases=phaseData)
        return Histograms,Phases
    
    def MakeLSParmDict(self,seqHist=None):
        '''Load all parameters used for computation from the tree into a
        dict of paired values [value, refine flag]. Note that this is
        different than the parmDict used in the refinement, which only has
        values.

        Note that similar things are done in
        :meth:`GSASIIIO.ExportBaseclass.loadParmDict` (from the tree) and 
        :func:`GSASIIstrMain.Refine` and :func:`GSASIIstrMain.SeqRefine` (from
        a GPX file).

        :param dict seqHist: defines a specific histogram to be loaded for a sequential
          refinement, if None (default) all are loaded.
          Note: at present this parameter is not used anywhere.

        :returns: (parmDict,varyList) where:

         * parmDict is a dict with values and refinement flags
           for each parameter and
         * varyList is a list of variables (refined parameters).
        '''
        parmDict = {}
        Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
        if seqHist:
            histDict = {seqHist:Histograms[seqHist]}
        else:
            histDict = Histograms
        for phase in Phases:
            if 'pId' not in Phases[phase]:
                self.ErrorDialog('View parameter error','You must run least squares at least once')
                raise Exception('No pId for phase '+phase)
        rigidbodyDict = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root,'Rigid bodies'))
        rbVary,rbDict = G2stIO.GetRigidBodyModels(rigidbodyDict,Print=False)
        rbIds = rigidbodyDict.get('RBIds',{'Vector':[],'Residue':[],'Spin':[]})
        Natoms,atomIndx,phaseVary,phaseDict,pawleyLookup,FFtable,EFtable,ORBtables,BLtable,MFtable,maxSSwave = \
            G2stIO.GetPhaseData(Phases,RestraintDict=None,rbIds=rbIds,Print=False)        
        hapVary,hapDict,controlDict = G2stIO.GetHistogramPhaseData(Phases,histDict,Print=False,resetRefList=False)
        histVary,histDict,controlDict = G2stIO.GetHistogramData(histDict,Print=False)
        varyList = rbVary+phaseVary+hapVary+histVary
        parmDict.update(rbDict)
        parmDict.update(phaseDict)
        parmDict.update(hapDict)
        parmDict.update(histDict)
        for parm in parmDict:
            if parm.split(':')[-1] in ['Azimuth','Gonio. radius','Lam1','Lam2',
                'Omega','Chi','Phi','nDebye','nPeaks']:
                parmDict[parm] = [parmDict[parm],'-']
            elif parm.split(':')[-2] in ['Ax','Ay','Az','SHmodel','SHord']:
                parmDict[parm] = [parmDict[parm],'-']
            elif parm in varyList:
                parmDict[parm] = [parmDict[parm],'T']
            else:
                parmDict[parm] = [parmDict[parm],'F']
        # for i in parmDict: print i,'\t',parmDict[i]
        # fl = open('parmDict.dat','wb')
        # cPickle.dump(parmDict,fl,1)
        # fl.close()
        return parmDict,varyList

    def OnShowLSParms(self,event):
        '''Displays a window showing all parameters in the refinement.
        Called from the Calculate/View LS Parms menu.

        This could potentially be sped up by loading only the histogram that is needed
        for a sequential fit. 
        '''
        if G2cnstG.CheckAllScalePhaseFractions(self,refine=False): return
        try:
            parmDict,varyList = self.MakeLSParmDict()
        except:
            print('Error retrieving parameters')
            return
        parmValDict = {}
        for i in parmDict:
            parmValDict[i] = parmDict[i][0]
            
        reqVaryList = copy.copy(varyList) # save requested variables
        wx.BeginBusyCursor()
        try:            
            # process constraints
            Histograms,Phases = self.GetUsedHistogramsAndPhasesfromTree()
            if not len(Phases) or not len(Histograms):
                print('No constraints processing without phases and histograms defined')
                raise G2mv.ConstraintException
            sub = GetGPXtreeItemId(self,self.root,'Constraints') 
            Constraints = self.GPXtree.GetItemPyData(sub)
            errmsg,warnmsg = G2cnstG.CheckConstraints(self,Phases,Histograms,Constraints,[],reqVaryList)
        except G2mv.ConstraintException:
            print('Error in Constraint Processing')
            pass
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        for key in ('parmMinDict','parmMaxDict','parmFrozen'):
            if key not in Controls: Controls[key] = {}
        G2mv.Map2Dict(parmValDict,G2mv.saveVaryList)
        wx.EndBusyCursor()
        # # check for limits on dependent vars
        # consVars = [i for i in reqVaryList if i not in varyList]
        # impossible = set(
        #     [str(i) for i in Controls['parmMinDict'] if i in consVars] + 
        #     [str(i) for i in Controls['parmMaxDict'] if i in consVars])
        # if impossible:
        #     msg = ''
        #     for i in sorted(impossible):
        #         if msg: msg += ', '
        #         msg += i
        #     msg =  ' &'.join(msg.rsplit(',',1))
        #     msg = ('Note: limits on variable(s) '+msg+
        #     ' will be ignored because they are constrained.')
        #     G2G.G2MessageBox(self,msg,'Limits ignored for constrained vars')
        # debug stuff
        #if GSASIIpath.GetConfigValue('debug'):
        #    print('reloading',G2G)
        #    import imp
        #    imp.reload(G2G)
        # end debug stuff    
        dlg = G2G.ShowLSParms(self,'Least Squares Parameters',parmValDict,G2mv.saveVaryList,reqVaryList,Controls)
        dlg.CenterOnParent()
        dlg.ShowModal()
        dlg.Destroy()
        
    def OnDerivCalc(self,event):
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        self._cleanPartials(Controls)  # set phase partials as invalid
        self.OnFileSave(event)
        errmsg, warnmsg = G2stIO.ReadCheckConstraints(self.GSASprojectfile) # check constraints are OK
        if errmsg:
            print ('\nError message(s):\n',errmsg)
            self.ErrorDialog('Error in constraints',errmsg)
            return
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        wx.BeginBusyCursor()
        pdlg = wx.ProgressDialog('Computing derivatives','Impact computation in progress',100,
            parent=self,style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE|wx.PD_CAN_ABORT)
        pdlg.CenterOnParent()
        derivCalcs,varyList = G2stMn.Refine(self.GSASprojectfile,pdlg,allDerivs=True)
        pdlg.Destroy()
        wx.EndBusyCursor()
        if derivCalcs is None:
            print('Calculation aborted')
            return
        # prepare table contents & display
        colTypes = [wg.GRID_VALUE_STRING,wg.GRID_VALUE_STRING,wg.GRID_VALUE_FLOAT+':8,4',wg.GRID_VALUE_STRING]
        colLbls = ['variable name','varied','Derivative','Definition']
        tbl = []
        for x in sorted(derivCalcs,key=lambda x:abs(derivCalcs[x][1]),reverse=True):
            if derivCalcs[x][1] == 0.0 : continue
            if np.sign(derivCalcs[x][2]) != np.sign(derivCalcs[x][0]): continue
            txt = G2obj.fmtVarDescr(x)
            txt = txt.replace('Ph=','Phase: ')
            txt = txt.replace('Pwd=','Histogram: ')
            tbl.append([x,(' T' if x in varyList else '  '),derivCalcs[x][1],txt])
        G2G.G2ScrolledGrid(self,'Parameter Impact Results','Impact Results',tbl,colLbls,colTypes,
            maxSize=(700,400),comment=' Cite: B.H. Toby, IUCrJ, to be published')

    def OnRefine(self,event):
        '''Perform a single refinement or a sequential refinement (depending on controls setting)
        Called from the Calculate/Refine menu.
        '''
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        self._cleanPartials(Controls)  # phase partials invalid after a refinement
        if self.testSeqRefineMode():
            self.OnSeqRefine(event)
            return
        
        if G2cnstG.CheckAllScalePhaseFractions(self):
            return # can be slow for sequential fits, skip
        self.OnFileSave(event)
        errmsg, warnmsg = G2stIO.ReadCheckConstraints(self.GSASprojectfile) # check constraints are OK
        if warnmsg:
            print ('\nNote these constraint warning(s):\n'+warnmsg)
            print ('Generated constraints\n',G2mv.VarRemapShow([],True))
        if errmsg:
            print ('\nError message(s):\n',errmsg)
            self.ErrorDialog('Error in constraints',errmsg)
            return
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        if Controls.get('newLeBail',False):
            dlgtxt = '''Do Le Bail refinement of intensities first?
            
    If Yes, resets starting structure factors; recommended after major parameter changes.
    If No, then previous structure factors are used.'''
            dlgb = wx.MessageDialog(self,dlgtxt,'Le Bail Refinement',style=wx.YES_NO)            
            result = wx.ID_NO
            try:
                result = dlgb.ShowModal()
            finally:
                dlgb.Destroy()
            if result == wx.ID_YES:
                res = self.OnLeBail(event)
                if res: return
            Controls['newLeBail'] = False
        if GSASIIpath.GetConfigValue('G2RefinementWindow'):
            trialMode = 'analytic Hessian' in Controls['deriv type']
            dlg = G2G.G2RefinementProgress(parent=self,trialMode=trialMode)
            dlg.SetMaxCycle(Controls['max cyc'])
        else:
            dlg = G2G.RefinementProgress(parent=self)
        Rw = 100.00
        self.SaveTreeSetting() # save the current tree selection
        self.GPXtree.SaveExposedItems()             # save the exposed/hidden tree items
        if self.PatternId and self.GPXtree.GetItemText(self.PatternId).startswith('PWDR '):
            refPlotUpdate = G2plt.PlotPatterns(self,refineMode=True) # prepare for plot updating
        else:
            refPlotUpdate = None
        try:
            OK,Rvals = G2stMn.Refine(self.GSASprojectfile,dlg,refPlotUpdate=refPlotUpdate,newLeBail=Controls.get('newLeBail',False))
        finally:
            dlg.Update(101.) # forces the Auto_Hide; needed after move w/Win & wx3.0
            dlg.Destroy()
        if OK:
            Rw = Rvals['Rwp']
            rtext = 'LS Refinement: Rw = %.3f%%, GOF = %.2f, Nobs = %d, Nvar = %d'%(Rvals['Rwp'],Rvals['GOF'],Rvals['Nobs'],Rvals['Nvars'])
            lamMax = Rvals.get('lamMax',0.001)
            lst = os.path.splitext(os.path.abspath(self.GSASprojectfile))[0]
            text = 'Detailed results are in ' + lst + '.lst\n'
            if 'GOF0' in Rvals and 'GOF' in Rvals:
                text += '\nFinal Reduced Chi^2: {:.3f} (before ref: {:.3f})\n'.format(
                    Rvals['GOF']**2,Rvals['GOF0']**2)
            if Rvals.get('Max shft/sig') is not None:
                rtext += ', Max delt/sig = {:.3f}'.format(Rvals['Max shft/sig'])
                text += '\nMax shift/sigma={:.3f}\n'.format(Rvals['Max shft/sig'])
            if 'msg' in Rvals: text += '\n' + Rvals['msg'] + '\n'
            if 'Aborted' in Rvals:
                text += '\nWARNING: Minimizer halted because chi**2 increased\n'
            if lamMax >= 10.:
                text += '\nWARNING: Steepest descents dominates;'+   \
                ' minimum may not have been reached or result may be false minimum.'+  \
                ' You should reconsider which parameters you refine. Check covariance matrix.\n'
            text += '\nLoad new result?'
            dlg2 = wx.MessageDialog(self,text,'Refinement results, Rw =%.3f'%(Rw),wx.OK|wx.CANCEL)
            dlg2.CenterOnParent()
            try:
                if dlg2.ShowModal() == wx.ID_OK:
                    if refPlotUpdate: refPlotUpdate({},restore=True)
                    self.reloadFromGPX(rtext)
                else:
                    if refPlotUpdate: refPlotUpdate({},restore=True)
            finally:
                dlg2.Destroy()
        elif 'psing' in Rvals:
            if 'msg' in Rvals:
                msg = 'Refinement results:\n\n'
                msg += Rvals['msg']
                msg += '\n\n'
            else:
                msg = ''
            try:
                dlg = wx.MessageDialog(self, msg,'Note singularities',wx.OK)
                dlg.CenterOnParent()
                dlg.SetSize((700,300)) # does not resize on Mac
                dlg.ShowModal()
            finally:
                dlg.Destroy()
        else:
            self.ErrorDialog('Refinement error',Rvals['msg'])
            
    def OnLeBail(self,event):
        '''Do a 1 cycle LeBail refinement with no other variables; usually done upon initialization of a LeBail refinement
        either single or sequentially
        '''
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        self._cleanPartials(Controls)  # phase partials invalid after a refinement
        self.OnFileSave(event)
        item = GetGPXtreeItemId(self,self.root,'Covariance')
        covData = self.GPXtree.GetItemPyData(item)
        try:
            rChi2initial = 'GOF: {:.3f}'.format(covData['Rvals']['GOF']**2)
        except:
            rChi2initial = '?'
        
        if GSASIIpath.GetConfigValue('G2RefinementWindow'):            
#            Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
            if (self.testSeqRefineMode()):
                l = len(self.testSeqRefineMode())
            else:
                l = 0
            dlg = G2G.G2RefinementProgress(parent=self,trialMode=False,
                        seqLen=l,seqShow=10)
        else:
            dlg = G2G.RefinementProgress(parent=self)
        self.SaveTreeSetting() # save the current tree selection
        self.GPXtree.SaveExposedItems()             # save the exposed/hidden tree items
        if self.PatternId and self.GPXtree.GetItemText(self.PatternId).startswith('PWDR '):
            refPlotUpdate = G2plt.PlotPatterns(self,refineMode=True) # prepare for plot updating
        else:
            refPlotUpdate = None

        seqList = self.testSeqRefineMode()
        try:
            OK,Rvals = G2stMn.DoLeBail(self.GSASprojectfile,dlg,cycles=1,refPlotUpdate=refPlotUpdate,seqList=seqList)
        finally:
            dlg.Update(101.) # forces the Auto_Hide; needed after move w/Win & wx3.0
            dlg.Destroy()
        if OK and seqList:
            print('continuing with sequential fit')
        elif OK:
            text = ''
            rtext = 'LeBail-only fit done. '
            Rwp = Rvals.get('Rwp')
            if 'GOF' in Rvals:
                txt = 'Final Reduced Chi^2: {:.3g}\n'.format(Rvals['GOF']**2)+rChi2initial
                text += txt
                rtext += txt
            text += '\nLoad new result & continue refinement?'
            dlg2 = wx.MessageDialog(self,text,'LeBail fit: Rwp={:.3f}'.format(Rwp),wx.OK|wx.CANCEL)
            dlg2.CenterOnParent()
            try:
                if dlg2.ShowModal() == wx.ID_OK:
                    if refPlotUpdate: refPlotUpdate({},restore=True)
                    self.reloadFromGPX(rtext)
                else:
                    if refPlotUpdate: refPlotUpdate({},restore=True)
                    return True
            finally:
                dlg2.Destroy()
        else:
            self.ErrorDialog('Le Bail error',Rvals['msg'])
            return True
        return False
    
    def _cleanPartials(self,Controls):
        '''Delete any partials created with :meth:`OnRefinePartials`; used
        in GUI-based refinements, as the partials are no longer correct after 
        any fit.
        Also clears the PhasePartials name from Controls
        '''
        PhasePartials = os.path.abspath(os.path.splitext(self.GSASprojectfile)[0]+'.partials')
        if os.path.exists(PhasePartials):
            os.remove(PhasePartials)
            print('file deleted:',PhasePartials)
        Controls['PhasePartials'] = None

    def LoadPartial(self,target_hId):
        PhasePartials = os.path.abspath(os.path.splitext(self.GSASprojectfile)[0]+'.partials')
        if not os.path.exists(PhasePartials): return None,None,[]
        fp = open(PhasePartials,'rb')
        pickle.load(fp)   # skip over initial None
        while True:   # loop until we find target histogram or hit end of file
            yDict = {}
            try:
                hId = pickle.load(fp)   # get histogram number
                if hId == target_hId:
                    # found the target, read until we get a None or EOF
                    x = pickle.load(fp)   
                    yb = pickle.load(fp)
                    while True: 
                        phase = pickle.load(fp)
                        if phase is None:
                            fp.close()
                            return  x, yb, yDict
                        yDict[phase] = pickle.load(fp)
                else:
                    while pickle.load(fp) is not None:
                        pass
            except EOFError:
                if yDict:
                    fp.close()
                    return  x, yb, yDict
                # did not find the right histogram -- unexpected!
                return None,None,[]             
                
    def OnRefinePartials(self,event):
        '''Computes and saves the intensities from each phase for each powder 
        histogram. Do a 0 cycle fit with no variables to pickle intensities for each 
        phase into a file. Not for sequential fits.
        Sets Controls['PhasePartials'] to a file name to trigger save of
        info in :meth:`GSASIIstrMath.getPowderProfile` and then clear that. 
        '''
        if self.testSeqRefineMode():  # should not happen, as should not be enabled
            G2G.G2MessageBox(self,
                'Phase partials cannot be computed for sequential fits',
                'Sequential not allowed')
            return
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        savCyc,Controls['max cyc'] = Controls['max cyc'],0
        saveDervtype,Controls['deriv type'] = Controls['deriv type'],'analytic Hessian'
        Controls['PhasePartials'] = os.path.abspath(os.path.splitext(self.GSASprojectfile)[0]+'.partials')
        self.OnFileSave(event)
        dlg = G2G.RefinementProgress(parent=self)
        self.SaveTreeSetting() # save the current tree selection
        self.GPXtree.SaveExposedItems()             # save the exposed/hidden tree items
        
        try:
            OK,Rvals = G2stMn.Refine(self.GSASprojectfile,dlg,refPlotUpdate=None,newLeBail=False)
        except Exception as msg:
            print('Refinement failed with message',msg)
            Controls['deriv type'] = saveDervtype
            Controls['max cyc'] = savCyc
            Controls['PhasePartials'] = None
            self.OnFileSave(event)
            return True
        finally:
            dlg.Update(101.) # forces the Auto_Hide; needed after move w/Win & wx3.0
        dlg.Destroy()
        if OK:
            G2G.G2MessageBox(self,'Phase partials computed; if necessary, press "P" on multiphase PWDR plot to view',
                'Partials complete')            
        Controls['deriv type'] = saveDervtype
        Controls['max cyc'] = savCyc
        self.OnFileSave(event)
    
    def OnSavePartials(self,event):
        ''' Saves partials as a csv file
        '''
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        phPartialFile = Controls['PhasePartials']
        try:
            fp = open(phPartialFile,'rb')
        except:
            G2G.G2MessageBox(self,
                'Phase partials cannot be saved - partials file does not exist',
                'No partials file')
            return
        # savCyc,Controls['max cyc'] = Controls['max cyc'],0
        # saveDervtype,Controls['deriv type'] = Controls['deriv type'],'analytic Hessian'
        while True: # loop until we get a name or the user says no to export

            filename = None
            defpath,defnam = os.path.split(os.path.abspath(
                os.path.splitext(self.GSASprojectfile)[0]+'_part_N.csv'))
            
            dlg = wx.FileDialog(self,
                'Choose a file prefix to save the partials', defpath, defnam, 
                'spreadsheet input (*.csv)|*.csv',wx.FD_SAVE)
            dlg.CenterOnParent()
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    filename = os.path.splitext(dlg.GetPath())[0]   # drop extension
                    if not filename.endswith('_part_N'):
                        filename += '_part_N'
                    break
                else:
                    return False
            finally:
                dlg.Destroy()
        # write the .csv file(s)
        histograms,phases = self.GetUsedHistogramsAndPhasesfromTree()
        pickle.load(fp)   # skip over initial None
        done = False
        while not done:   # looping over histograms
            valList = None
            lblList = ['x','obs','wgt','calc','background']
            try:
                hId = pickle.load(fp)   # get histogram number
                pickle.load(fp)   # skip over x values
                pickle.load(fp)   # skip over bkg values
                for h in histograms:
                    if 'PWDR' not in h[:4]: continue
                    if hId == histograms[h]['hId']: break
                else:
                    print('Error histogram',hId,'not found. This should not happen!')
                    fp.close()
                    # Controls['deriv type'] = saveDervtype
                    # Controls['max cyc'] = savCyc
                    Controls['PhasePartials'] = None
                    self.OnFileSave(event)
                    return
                Limits = histograms[h]['Limits'][1]
                x = histograms[h]['Data'][0]
                xB = np.searchsorted(x,Limits[0])
                xF = np.searchsorted(x,Limits[1])+1
                valList = [x,histograms[h]['Data'][1],
                           histograms[h]['Data'][2],histograms[h]['Data'][3],
                           histograms[h]['Data'][4]]
                while True: # read until we hit an EOF or a None
                    phase = pickle.load(fp)   # get phase & then y vals
                    if phase is None: break
                    lblList.append(phase)
                    ypartial = np.zeros_like(x)
                    yp = pickle.load(fp)
                    if len(yp):
                        ypartial[xB:xF] = yp
                        valList.append(ypartial)
                    else:
                        valList = None
                        continue
            except EOFError:
                done = True
            if valList:
                phPartialFile = filename.replace('_part_N','_part_'+str(hId)+'.csv')
                fp1 = open(phPartialFile,'w')
                fp1.write(', '.join(lblList))
                fp1.write('\n')
                for l in zip(*valList):
                    fp1.write(', '.join([str(i) for i in l])+'\n')
                fp1.close()
                print('File',phPartialFile,'written')
        fp.close()
        print('Saving partials as csv files finished')
        
    def OnClusterAnalysis(self,event):
        ''' Setsup cluster analysis & make tree entry
        '''
        
        try:
            SKLearn = False
            import sklearn.cluster
            SKLearn = True
        except:
            res = GSASIIpath.condaInstall('scikit-learn')
            if res:
                msg = 'Installation of the sklearn package failed with error:\n' + str(res)
                G2G.G2MessageBox(self,msg,'Install sklearn Error')
            else:
                SKLearn = True
        Id = GetGPXtreeItemId(self,self.root,'Cluster Analysis')
        if not Id:
                
            Id = self.GPXtree.AppendItem(self.root,text='Cluster Analysis')
            ClustDict = {'Files':[],'Method':'correlation','Limits':[0.,100.],'DataMatrix':[],'plots':'All',
                'LinkMethod':'average','Opt Order':False,'ConDistMat':[],'NumClust':2,'codes':None,'Scikit':'K-Means'}
            self.GPXtree.SetItemPyData(Id,ClustDict)
        else:
            ClustDict = self.GPXtree.GetItemPyData(Id)
            print('Cluster Analysis exists - nothing done')                   
        ClustDict['SKLearn'] = SKLearn
        self.GPXtree.SelectItem(Id)
    
    def reloadFromGPX(self,rtext=None):
        '''Deletes current data tree & reloads it from GPX file (after a 
        refinemnt.) Done after events are completed to avoid crashes.
        :param rtext str: string info from caller to be put in Notebook after reload
        '''
        self.GPXtree.DeleteChildren(self.root)
        self.HKL = []
        self.Extinct = []
        G2IO.ProjFileOpen(self,False)
        self.TreeItemDelete = False  # tree has been repopulated; ignore previous deletions
        self.GPXtree.RestoreExposedItems() # reset exposed/hidden tree items
        if rtext is not None:
            self.AddToNotebook(rtext)
        self.ResetPlots()        
        
    def SaveTreeSetting(self):
        'Save the current selected tree item by name (since the id will change)'
        oldId =  self.GPXtree.GetSelection()        #retain current selection
        oldPath = self.GetTreeItemsList(oldId)
        self.lastTreeSetting = oldPath
        
    def ResetPlots(self):
        '''This reloads the current tree item, often drawing a plot. It 
        also refreshes any plots that have registered a refresh routine 
        (see G2plotNB.RegisterRedrawRoutine) and deletes all plots that 
        have not been refreshed and require one (see G2plotNB.SetNoDelete).
        '''
        for lbl,win in zip(self.G2plotNB.plotList,self.G2plotNB.panelList):
            win.plotInvalid = True  # mark all current plots as invalid so we can tell what has been updated
            
        oldPath = self.lastTreeSetting  # reload last selected tree item, triggers window and possibly plot redraw
        Id = self.root
        for txt in oldPath:
            Id = GetGPXtreeItemId(self, Id, txt)
        pltText = None
        self.PickIdText = None   # forces reload of page when selected
        if Id:
            self.PickId = Id
            self.GPXtree.SelectItem(Id)
            # selection above appears to trigger a tree event (all platforms?),
            # but if not call SelectDataTreeItem(self,Id)
#            wx.Yield()
            time.sleep(0.1)
            pltNumber = self.G2plotNB.nb.GetSelection()
            if pltNumber >= 0:
                pltText = self.G2plotNB.nb.GetPageText(pltNumber)
            else:
                pltText = None
        # update plots where a routine is supplied
        for lbl,win in zip(self.G2plotNB.plotList,self.G2plotNB.panelList):
            if win.plotInvalid and win.replotFunction:
                if GSASIIpath.GetConfigValue('debug'):
                    print('updating',lbl,'by calling',str(win.replotFunction))
                try:
                    win.replotFunction(*win.replotArgs,**win.replotKWargs)
                except Exception as msg:
                    if GSASIIpath.GetConfigValue('debug'):
                        print('Error calling',win.replotFunction,'with args',
                                  win.replotArgs,win.replotKWargs)
                    if GSASIIpath.GetConfigValue('debug'):
                        print(msg)
                        GSASIIpath.IPyBreak()
        # delete any remaining plots unless they have been
        # updated (win.plotInvalid is False) or are tagged as not
        # needing a refresh (win.plotRequiresRedraw is False)
        for lbl,win in zip(self.G2plotNB.plotList,self.G2plotNB.panelList):
            if win.plotInvalid and win.plotRequiresRedraw:
                if GSASIIpath.GetConfigValue('debug'):
                    print('Closing out-of-date plot',lbl)
                if lbl == 'Powder Patterns':
                    self.lastPlotType = None
                self.G2plotNB.Delete(lbl)
        # put the previously last-raised plot tab on top, if present.
        # Search by label text, since tab number may have changed
        for i in range(self.G2plotNB.nb.GetPageCount()):
            if self.G2plotNB.nb.GetPageText(i) == pltText:
                self.G2plotNB.nb.SetSelection(i)
                break
        
    def OnSeqRefine(self,event):
        '''Perform a sequential refinement.
        Called from self.OnRefine (Which is called from the Calculate/Refine menu)
        '''
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        seqList = self.testSeqRefineMode()
        Id = GetGPXtreeItemId(self,self.root,'Sequential results')
        if not Id:
            Id = self.GPXtree.AppendItem(self.root,text='Sequential results')
            self.GPXtree.SetItemPyData(Id,{})            
        self.G2plotNB.Delete('Sequential refinement')    #clear away probably invalid plot
        Controls['ShowCell'] = True
        for key in ('parmMinDict','parmMaxDict','parmFrozen'):
            if key not in Controls: Controls[key] = {}
        # check for deleted or unused histograms in refine list
        phaseRIdList,histdict = self.GetPhaseInfofromTree(Used=True)
        usedHistograms = []
        for k in histdict:
            usedHistograms += histdict[k]
        usedHistograms = list(set(usedHistograms))
        newseqList = [i for i in seqList if i in usedHistograms]
        if len(newseqList) != len(seqList):
            G2G.G2MessageBox(self,
                str(len(seqList)-len(newseqList))+
                ' histograms that are not used have been removed from the sequential list.',
                'Histograms removed')
            seqList = Controls['Seq Data'] = newseqList
        self.OnFileSave(event)
        allerrors = {}
        allwarnings = {}
        Histograms,Phases = G2stIO.GetUsedHistogramsAndPhases(self.GSASprojectfile)
        for h in seqList: # check constraints are OK for each histogram to be processed
            errmsg, warnmsg = G2stIO.ReadCheckConstraints(self.GSASprojectfile,
                                                          h,Histograms,Phases)
            if warnmsg or errmsg:
                print ('\nConstraint warnings/errors for histogram "{}":'.format(h))
            if warnmsg:
                allwarnings[h] = warnmsg
                print ('warning:',warnmsg)
            if errmsg:
                allerrors[h] = errmsg
                print ('Error message: ',errmsg)
        if allerrors:
            if len(allerrors) == len(seqList):
                l = 'all histograms'
            elif len(allerrors) == 1:
                l = 'one histogram'
            else:
                l = str(len(allerrors)) + ' histograms'
            self.ErrorDialog('Error in Constraints',
                             'There were constraint errors in {}. Refinement is not possible. See console output or visit Constraints data tree item for more details.'.format(l))
            return
        elif allwarnings:
            if len(allwarnings) == len(seqList):
                l = 'all histograms'
            elif len(allwarnings) == 1:
                l = 'one histogram'
            else:
                l = str(len(allwarnings)) + ' histograms'
            msg = 'There were constraint warnings generated in {}. See console output or visit the Constraints data tree item for more details. Continue with refinement?'.format(l)
            dlg = wx.MessageDialog(self,msg,caption='Constraint warnings',style=wx.YES_NO)
            dlg.CenterOnParent()
            result = wx.ID_NO
            try:
                result = dlg.ShowModal()
            finally:
                dlg.Destroy()
            if result == wx.ID_NO: return
        self.GPXtree.SaveExposedItems()        
        # find 1st histogram to be refined
        if 'Seq Data' in Controls: 
            histNames = Controls['Seq Data']
        else: # patch from before Controls['Seq Data'] was implemented
            histNames = G2stIO.GetHistogramNames(self.GSASprojectfile,['PWDR',])
        if Controls.get('Reverse Seq'):
            histNames.reverse()
        if Controls.get('newLeBail',False):
            dlgtxt = '''Do Le Bail refinement of intensities first?
            
    If Yes, resets starting structure factors; recommended after major parameter changes.    
    If No, then previous structure factors are used.'''
            dlgb = wx.MessageDialog(self,dlgtxt,'Le Bail Refinement',style=wx.YES_NO)            
            result = wx.ID_NO
            try:
                result = dlgb.ShowModal()
            finally:
                dlgb.Destroy()
            if result == wx.ID_YES:
                res = self.OnLeBail(event)
                if res: return
        # select it
        if GSASIIpath.GetConfigValue('G2RefinementWindow'):
            trialMode = 'analytic Hessian' in Controls['deriv type']
            dlgp = G2G.G2RefinementProgress(parent=self,trialMode=trialMode,
                                              seqLen=len(histNames))
        else:
            dlgp = G2G.RefinementProgress('Residual for histogram 0','Powder profile Rwp =',parent=self)
        self.PatternId = GetGPXtreeItemId(self,self.root,histNames[0])
        if self.PatternId and self.GPXtree.GetItemText(self.PatternId).startswith('PWDR '):
            refPlotUpdate = G2plt.PlotPatterns(self,refineMode=True) # prepare for plot updating
        else:
            refPlotUpdate = None
        try:
            OK,Msg = G2stMn.SeqRefine(self.GSASprojectfile,dlgp,refPlotUpdate) #Msg is Rvals dict if Ok=True
        finally:
            dlgp.Update(101.) # forces the Auto_Hide; needed after move w/Win & wx3.0
            dlgp.Destroy()
        if OK:
            lst = os.path.splitext(os.path.abspath(self.GSASprojectfile))[0]
            text = 'Detailed results are in ' + lst + '.lst\n'
            if Msg.get('Frozen'):
                text += '\n' +  Msg['Frozen']
            if Msg.get('steepestNum',0) > 0:
                text += '\nNote that {} histograms had extreme correlations where steepest descents dominates\n'.format(Msg['steepestNum'])
            if len(Msg.get('maxshift/sigma',[])) > 0:
                avg = np.average(Msg['maxshift/sigma'])
                mx = np.max(Msg['maxshift/sigma'])
                text += '\nBiggest Max shft/sig was {:.3f} (average across histograms {:.3f})\n'.format(mx,avg)
            text += '\nLoad new result?'                
            dlg = wx.MessageDialog(self,text,'Refinement results',wx.OK|wx.CANCEL)
            dlg.CenterOnParent()
            try:
                if dlg.ShowModal() == wx.ID_OK:
                    if refPlotUpdate: refPlotUpdate({},restore=True)
                    self.PickIdText = None  #force reload of PickId contents
                    self.GPXtree.DeleteChildren(self.root)
                    if len(self.HKL):
                        self.HKL = []
                        self.Extinct = []
                    G2IO.ProjFileOpen(self,False)
                    self.GPXtree.RestoreExposedItems()
                    self.ResetPlots()
                    sId = GetGPXtreeItemId(self,self.root,'Sequential results')
                    SelectDataTreeItem(self,sId)
                    self.GPXtree.SelectItem(sId)
                else:
                    if refPlotUpdate: refPlotUpdate({},restore=True)
            finally:
                dlg.Destroy()
            
        else:
            self.ErrorDialog('Sequential refinement error',Msg)
            
    def OnRunFprime(self,event):
        '''Run Fprime'''
        import fprime
        self.fprime = fprime.Fprime(self)
        self.fprime.Show()
        
    def OnRunAbsorb(self,event):
        '''Run Absorb'''
        import Absorb
        self.absorb = Absorb.Absorb(self)
        self.absorb.Show()
        
    def OnRunPlotXNFF(self,evnt):
        '''Run PlotXNFF'''
        import PlotXNFF
        self.plotXNFF = PlotXNFF.PlotXNFF(self)
        self.plotXNFF.Show()
        
    def ErrorDialog(self,title,message,parent=None, wtype=wx.OK):
        'Display an error message'
        result = None
        if parent is None:
            dlg = wx.MessageDialog(self, message, title,  wtype)
        else:
            dlg = wx.MessageDialog(parent, message, title,  wtype)
            dlg.CenterOnParent() # not working on Mac
        try:
            result = dlg.ShowModal()
        finally:
            dlg.Destroy()
        return result
    
    def OnSaveMultipleImg(self,event):
        '''Select and save multiple image parameter and mask files
        '''
        G2IO.SaveMultipleImg(self)

    def DoSequentialProjExport(self,event):
        '''Export a sequential project

        duplicates part of GSASIIseqGUI.DoSequentialExport
        '''
        Id = GetGPXtreeItemId(self,self.root,'Sequential results')
        if not Id:
            print('Error in DoSequentialProjExport: no Seq Res table. How did this happen?')
            return
        data = self.GPXtree.GetItemPyData(Id)
        Controls = self.GPXtree.GetItemPyData(GetGPXtreeItemId(self,self.root, 'Controls'))
        G2IO.ExportSequentialFullCIF(self,data,Controls)

#### Data window side of main GUI; menu definitions here #########################
class G2DataWindow(wx.ScrolledWindow):      #wxscroll.ScrolledPanel):
    '''Create the data item window as well as the menu. Note that 
    the same core menu items are used in all menus, but different items may be
    added depending on what data tree item (and for phases, the phase tab).

    Note that while the menus are created here, 
    the binding for the menus is done later in various GSASII*GUI modules,
    where the functions to be called are defined.

    Use of the dataWindow scrolled panel:
    
    dataWindow has a “master” vertical BoxSizer: find it with
    G2frame.dataWindow.GetSizer() and always use it. A call to
    dataWindow.SetSizer() should not be needed. 

    When placing a widget in the sizer that has its own scrolling
    (e.g. G2G.GSNoteBook, anything else?) that one widget should be placed
    in the sizer as

         G2frame.dataWindow.GetSizer().Add(G2frame.<obj>,1,wx.ALL|wx.EXPAND)

    [is wx.ALL superfluous here?] so that it consumes the full size of the
    panel and so that the NoteBook widget does the scrolling.

    For other uses, one will likely place a bunch of widgets and (other
    [sub-]sizers) into the master sizer. In this case, DO NOT use wx.EXPAND,
    as this will result in the widget resizing/repositioning as the window
    resizes. Possible exceptions might be for widgets going into a fixed-size
    panel that is inside the dataWindow (probably not being done). A call to
    Sizer.Fit(dataWindow) will do bad things, though a call to
    SubSizer.Fit(dataWindow.subpanel) could make sense.

    Initial GUI draws to dataWindow will go through
    GSASIIdataGUI.SelectDataTreeItem(), which is called after any changes to
    data tree selection. SelectDataTreeItem places items in dataWindow or
    calls that do that. Before it calls those routines, it calls 

        G2frame.dataWindow.ClearData()

    which deletes the contents of the master sizer. After the contents are
    posted a call is made to 

        G2frame.dataWindow.SetDataSize()

    which repaints the window. For routines [such as GSASIIpwdGUI.UpdatePeakGrid()]
    that are called repeatedly to update the entire contents of dataWindow
    themselves, it is important to add calls to 

        G2frame.dataWindow.ClearData()

    and

    	 G2frame.dataWindow.SetDataSize()

    at the beginning and end respectively to clear and refresh. This is not
    needed for GSNoteBook repaints, which seem to be working mostly
    automatically. If there is a problem, a call like 

         wx.CallAfter(G2frame.phaseDisplay.SendSizeEvent)

    might be needed. There are some calls to G2frame.dataWindow.SendSizeEvent()
    that may be doing the same thing. 
    '''

    def __init__(self,parent):
        wx.ScrolledWindow.__init__(self,parent,wx.ID_ANY,size=parent.GetSize())
        self.parent = parent
        self._initMenus()
        self.currentGrids = []
        self.helpKey = ''  # defines help entry for current item selected in data tree
        
    def ClearData(self):
        '''Initializes the contents of the dataWindow panel
        '''
        self.Unbind(wx.EVT_SIZE)
        #self.SetBackgroundColour(wx.WHITE)   # this screws up dark mode
        #self.SetBackgroundColour(VERY_LIGHT_GREY)  # BHT: I prefer a gray background. Makes TextCtrls stand out, but
        # a bit lighter than the splitter bar
        Sizer = self.GetSizer()
        if Sizer:
            try:
                Sizer.Clear(True)
            except:
                pass
        else:
            print ('No sizer in dataWindow')
            if GSASIIpath.GetConfigValue('debug'): raise Exception

    def OnResize(self,event):
        'Used for grids to match ScrolledWindow size'
        event.Skip()
        Sizer = self.GetSizer()
        if not Sizer: return
        #if Sizer.GetItemCount() == 1: # not wx 2.8
        if len(Sizer.GetChildren()) == 1: # if there is a single grid, resize it
            if isinstance(Sizer.GetItem(0).GetWindow(), G2G.GSGrid): 
                Sizer.GetItem(0).GetWindow().SetSize(self.GetSize())
                    
    def SetDataSize(self):
        '''Sizes the contents of the dataWindow panel
        '''
        Sizer = self.GetSizer()
        if not Sizer:
            print ('No sizer in dataWindow')
            if GSASIIpath.GetConfigValue('debug'): raise Exception
            return
        #if Sizer.GetItemCount() == 1: # not wx 2.8
        if len(Sizer.GetChildren()) == 1: # handle cases with a single grid in DataWindow differently
            # note that Grid's scroll bars must be turned on with .SetScrollRate(10,10)
            # just after the call to .GSGrid()
            if isinstance(Sizer.GetItem(0).GetWindow(), G2G.GSGrid):
                self.Bind(wx.EVT_SIZE,self.OnResize)
                Sizer.GetItem(0).GetWindow().SetSize(self.GetSize())
                self.SetAutoLayout(False)
                self.SetScrollRate(0,0) 
                self.SendSizeEvent()
                return
        elif len(Sizer.GetChildren()) == 2: # case where there is a NoteBook & help button
            if isinstance(Sizer.GetItem(0).GetWindow(), G2G.GSNoteBook):
                # with wx4.2 (& 4.1?) AutoLayout causes all inner windows
                # to be made large and scrolling is done at outer window
                # this messes things up for grids inside notebooks (Reflection lists)
                # for this case turn off AutoLayout on dataWindow, but
                # use a Bind to redo Layout. This works for expansion but not
                # contraction of the window. 
                def _onResize(event):
                    self.Layout()
                    event.Skip()
                self.Bind(wx.EVT_SIZE,_onResize)
                self.SetScrollRate(0,0)
                self.Layout()
                self.SetAutoLayout(False)
                return
        self.SetAutoLayout(True)
        self.SetScrollRate(10,10)
        self.SendSizeEvent()

    def PrefillDataMenu(self,menu,empty=False):
        '''Create the "standard" part of data frame menus & add the dataWindow menu headings
        This menu duplicates the tree menu, but adds an extra help command for the current
        data item and a separator. 
        '''
        self.datamenu = menu
        self.GetTopLevelParent().FillMainMenu(menu,addhelp=False) # add the data tree menu items to the main menu
        if not empty:
            menu.Append(wx.Menu(title=''),title='|') # add a separator
        
    def PostfillDataMenu(self,empty=False):
        '''Add the help menu to the menus associated with data tree items.
        '''
        menu = self.datamenu
        G2frame = self.GetTopLevelParent()
        if not empty:
            menu.Append(wx.Menu(title=''),title='|') # add another separator
        HelpMenu=G2G.MyHelp(G2frame,includeTree=True,
            morehelpitems=[('&Tutorials','Tutorials'),])
        menu.Append(menu=HelpMenu,title='&Help')

#### Menu definitions here
    def _initMenus(self):
        '''define all GSAS-II data window menus. 
        NB: argument order conforms to both classic & phoenix variants for wx.
        Do not use argument= for these as the argument names are different for classic & phoenix
        '''
        
#### GSAS-II Menu items
        # Main menu
        G2frame = self.GetTopLevelParent()
        G2frame.GSASIIMenu = wx.MenuBar()
        G2frame.dataMenuBars = [G2frame.GSASIIMenu] # list of all menus (added to in PrefillDataMenu)
        G2frame.FillMainMenu(G2frame.GSASIIMenu)
        G2frame.SetMenuBar(G2frame.GSASIIMenu)

        # Controls
        self.ControlsMenu = wx.MenuBar()
        self.PrefillDataMenu(self.ControlsMenu,empty=True)
        self.PostfillDataMenu(empty=True)
        
        # Notebook
        self.DataNotebookMenu = wx.MenuBar() 
        self.PrefillDataMenu(self.DataNotebookMenu,empty=True)
        self.PostfillDataMenu(empty=True)
        
        # Comments
        self.DataCommentsMenu = wx.MenuBar()
        self.PrefillDataMenu(self.DataCommentsMenu,empty=True)
        self.PostfillDataMenu(empty=True)
        
        # Constraints
        G2G.Define_wxId('wxID_CONSTRAINTADD', 'wxID_EQUIVADD', 'wxID_HOLDADD', 'wxID_FUNCTADD',
                        'wxID_ADDRIDING', 'wxID_CONSPHASE', 'wxID_CONSHIST', 'wxID_CONSHAP',
                        'wxID_CONSGLOBAL', 'wxID_CONSSYM', 'wxID_EQUIVALANCEATOMS',)
        self.ConstraintMenu = wx.MenuBar()
        self.PrefillDataMenu(self.ConstraintMenu)
        self.ConstraintTab = wx.Menu(title='')
        self.ConstraintMenu.Append(menu=self.ConstraintTab, title='Select tab')
        for Id,txt in (
                (G2G.wxID_CONSPHASE,'Phase'),
                (G2G.wxID_CONSHAP,'Histogram/Phase'),
                (G2G.wxID_CONSHIST,'Histogram'),
                (G2G.wxID_CONSGLOBAL,'Global'),
                (G2G.wxID_CONSSYM,'Sym-Generated'),
                ):
            self.ConstraintTab.Append(Id,txt,'Select '+txt+' constraint editing tab')
        self.ConstraintEdit = wx.Menu(title='')
        self.ConstraintMenu.Append(menu=self.ConstraintEdit, title='Edit Constr.') # renamed from Edit due to Mac adding extra items to menu
        self.ConstraintEdit.Append(G2G.wxID_HOLDADD,'Add hold','Prevent refinement of parameter values')
        self.ConstraintEdit.Append(G2G.wxID_EQUIVADD,'Add equivalence','Force parameter values to be equivalent')
        self.ConstraintEdit.Append(G2G.wxID_CONSTRAINTADD,'Add constraint equation',
            'Add a constraint equation to apply to parameter values')
        self.ConstraintEdit.Append(G2G.wxID_FUNCTADD,'Add New Var',
            'Create a variable composed of existing parameters')
        self.ConstraintEdit.Append(G2G.wxID_EQUIVALANCEATOMS,'Make atoms equivalent',
            'Force atom parameter values to be equivalent')
        self.ConstraintEdit.Enable(G2G.wxID_EQUIVALANCEATOMS,False)
#        self.ConstraintEdit.Append(id=G2G.wxID_ADDRIDING, kind=wx.ITEM_NORMAL,text='Add H riding constraints',
#            help='Add H atom riding constraints between atom parameter values')
#        self.ConstraintEdit.Enable(G2G.wxID_ADDRIDING,False)
        G2G.Define_wxId('wxID_SHOWISO')
        self.ConstraintEdit.Append(G2G.wxID_SHOWISO,'Show ISODISTORT modes',
                'Show ISODISTORT mode values for all phases')
        self.ConstraintEdit.Enable(G2G.wxID_SHOWISO,False)
        
        self.PostfillDataMenu()

        # Rigid bodies
        G2G.Define_wxId('wxID_RIGIDBODYADD', 'wxID_DRAWDEFINERB', 'wxID_RIGIDBODYIMPORT', 'wxID_RESIDUETORSSEQ',
            'wxID_VECTORBODYADD', 'wxID_RIGIDBODYSAVE','wxID_RIGIDBODYIMP','wxID_RESBODYSAV','wxID_RESBODYRD',
            'wxID_VECTORBODYIMP','wxID_VECTORBODYSAV','wxID_VECTORBODYRD','wxID_VECTORBODYEXTD','wxID_SPINBODYADD')        
        self.RigidBodyMenu = wx.MenuBar()
        self.PrefillDataMenu(self.RigidBodyMenu)
        self.ResidueRBMenu = wx.Menu(title='')
        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYIMPORT,'Import XYZ','Import rigid body XYZ from file')
        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYIMP,'Extract from file','Extract rigid body from phase file')
        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYSAVE,'Save as PDB','Save rigid body to PDB file')        
        self.ResidueRBMenu.Append(G2G.wxID_RESIDUETORSSEQ,'Define torsion','Define torsion sequence')
        self.ResidueRBMenu.Append(G2G.wxID_RIGIDBODYADD,'Import residues','Import residue rigid bodies from macro file')
        self.ResidueRBMenu.Append(G2G.wxID_RESBODYSAV,'Save rigid body','Write a rigid body to a file')
        self.ResidueRBMenu.Append(G2G.wxID_RESBODYRD,'Read rigid body','Read a rigid body from a file')
        self.RigidBodyMenu.Append(menu=self.ResidueRBMenu, title='Edit Residue Body')
        self.PostfillDataMenu()

        self.VectorBodyMenu = wx.MenuBar()
        self.PrefillDataMenu(self.VectorBodyMenu)
        self.VectorRBEdit = wx.Menu(title='')
        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYADD,'Add rigid body','Add vector rigid body')
        self.VectorBodyMenu.Append(menu=self.VectorRBEdit, title='Edit Vector Body')
        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYIMP,'Extract from file','Extract rigid body from phase file')
        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYSAV,'Save rigid body','Write a rigid body to a file')
        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYRD,'Read rigid body','Read a rigid body from a file')
        self.VectorRBEdit.Append(G2G.wxID_VECTORBODYEXTD,'Add translation','Add translation to existing rigid body')
        self.PostfillDataMenu()
        
        self.SpinBodyMenu = wx.MenuBar()
        self.PrefillDataMenu(self.SpinBodyMenu)
        self.SpinRBEdit = wx.Menu(title='')
        self.SpinRBEdit.Append(G2G.wxID_SPINBODYADD,'Add rigid body','Add spinning rigid body')
        self.SpinBodyMenu.Append(menu=self.SpinRBEdit, title='Edit Spinning Body')
        self.PostfillDataMenu()

        # Restraints
        G2G.Define_wxId('wxID_RESTRAINTADD', 'wxID_RESTDELETE', 'wxID_RESRCHANGEVAL',
            'wxID_RESTCHANGEESD', 'wxID_AARESTRAINTADD', 'wxID_AARESTRAINTPLOT','wxID_USEMOGUL')
        self.RestraintTab = wx.Menu(title='')
        self.RestraintEdit = wx.Menu(title='')
        self.RestraintEdit.Append(G2G.wxID_RESTRAINTADD,'Add restraints','Add restraints')
        self.RestraintEdit.Enable(G2G.wxID_RESTRAINTADD,True)    #gets disabled if macromolecule phase
        self.RestraintEdit.Append(G2G.wxID_AARESTRAINTADD,'Add residue restraints',
            'Add residue based restraints for macromolecules from macro file')
        self.RestraintEdit.Enable(G2G.wxID_AARESTRAINTADD,False)    #gets enabled if macromolecule phase
        self.RestraintEdit.Append(G2G.wxID_USEMOGUL,'Add MOGUL restraints',
            'Add restraints from MOGUL csv file')
        self.RestraintEdit.Enable(G2G.wxID_USEMOGUL,False)    #gets enabled if bonds or angles
        self.RestraintEdit.Append(G2G.wxID_AARESTRAINTPLOT,'Plot residue restraints',
            'Plot selected residue based restraints for macromolecules from macro file')
        self.RestraintEdit.Enable(G2G.wxID_AARESTRAINTPLOT,False)    #gets enabled if macromolecule phase
        self.RestraintEdit.Append(G2G.wxID_RESRCHANGEVAL,'Change value','Change observed value')
        self.RestraintEdit.Append(G2G.wxID_RESTCHANGEESD,'Change esd','Change esd in observed value')
        self.RestraintEdit.Append(G2G.wxID_RESTDELETE,'Delete restraints','Delete selected restraints')

        self.RestraintMenu = wx.MenuBar()
        self.PrefillDataMenu(self.RestraintMenu)
        self.RestraintMenu.Append(menu=self.RestraintTab, title='Select tab')
        self.RestraintMenu.Append(menu=self.RestraintEdit, title='Edit Restr.')
        self.PostfillDataMenu()
            
        # Sequential results
        G2G.Define_wxId('wxID_RENAMESEQSEL', 'wxID_SAVESEQSEL', 'wxID_SAVESEQCSV', 'wxID_SAVESEQSELCSV', 'wxID_PLOTSEQSEL',
          'wxID_ADDSEQVAR', 'wxID_DELSEQVAR', 'wxID_EDITSEQVAR', 'wxID_COPYPARFIT', 'wxID_AVESEQSEL','wxID_SELECTUSE',
          'wxID_ADDPARFIT', 'wxID_DELPARFIT', 'wxID_EDITPARFIT', 'wxID_DOPARFIT', 'wxID_ADDSEQDIST', 'wxID_ADDSEQANGLE', 'wxID_ORGSEQINC',)
        self.SequentialMenu = wx.MenuBar()
        self.PrefillDataMenu(self.SequentialMenu)
        self.SequentialFile = wx.Menu(title='')
        self.SequentialMenu.Append(menu=self.SequentialFile, title='Columns/Rows')
        self.SequentialFile.Append(G2G.wxID_SELECTUSE,'Set used...',
            'Dialog to select rows for plots/equation fitting')
        G2G.Define_wxId('wxID_UPDATESEQSEL')
        self.SequentialFile.Append(G2G.wxID_UPDATESEQSEL,'Update phase from row',
            'Update phase information from selected row')
        G2G.Define_wxId('wxID_EDITSEQSELPHASE')
        self.SequentialFile.Append(G2G.wxID_EDITSEQSELPHASE,'Set phase vals',
            'Edit phase parameter vals in selected rows')
        self.SequentialFile.AppendSeparator()
        self.SequentialFile.Append(G2G.wxID_PLOTSEQSEL,'Plot selected cols',
            'Plot selected sequential refinement columns')
        self.SequentialFile.Append(G2G.wxID_RENAMESEQSEL,'Rename selected cols',
            'Rename selected sequential refinement columns')
        self.SequentialFile.Append(G2G.wxID_SAVESEQSEL,'Save selected as text',
            'Save selected sequential refinement results as a text file')
        self.SequentialFile.Append(G2G.wxID_SAVESEQSELCSV,'Save selected as CSV',
            'Save selected sequential refinement columns as a CSV spreadsheet file')
        self.SequentialFile.Append(G2G.wxID_AVESEQSEL,'Compute average',
            'Compute average for selected parameter')            
        self.SequentialFile.Append(G2G.wxID_ORGSEQINC,'Hide columns...',
            'Select columns to remove from displayed table')
        self.SequentialFile.AppendSeparator()       
        self.SequentialFile.Append(G2G.wxID_SAVESEQCSV,'Save all as CSV',
            'Save all sequential refinement results as a CSV spreadsheet file')
        self.SequentialPvars = wx.Menu(title='')
        self.SequentialMenu.Append(menu=self.SequentialPvars, title='Pseudo Vars')
        self.SequentialPvars.Append(G2G.wxID_ADDSEQVAR,'Add Formula','Add a new custom pseudo-variable')
        self.SequentialPvars.Append(G2G.wxID_ADDSEQDIST,'Add Distance','Add a new bond distance pseudo-variable')
        self.SequentialPvars.Append(G2G.wxID_ADDSEQANGLE,'Add Angle','Add a new bond angle pseudo-variable')
        self.SequentialPvars.Append(G2G.wxID_DELSEQVAR,'Delete','Delete an existing pseudo-variable')
        self.SequentialPvars.Append(G2G.wxID_EDITSEQVAR,'Edit','Edit an existing pseudo-variable')

        self.SequentialPfit = wx.Menu(title='')
        self.SequentialMenu.Append(menu=self.SequentialPfit, title='Parametric Fit')
        self.SequentialPfit.Append(G2G.wxID_ADDPARFIT,'Add equation','Add a new equation to minimize')
        self.SequentialPfit.Append(G2G.wxID_COPYPARFIT,'Copy equation','Copy an equation to minimize - edit it next')
        self.SequentialPfit.Append(G2G.wxID_DELPARFIT,'Delete equation','Delete an equation for parametric minimization')
        self.SequentialPfit.Append(G2G.wxID_EDITPARFIT,'Edit equation','Edit an existing parametric minimization equation')
        self.SequentialPfit.Append(G2G.wxID_DOPARFIT,'Fit to equation(s)','Perform a parametric minimization')
        # fill sequential Export menu
        # for an exporter to be used for sequential exports, it must have a Writer method and
        # that Writer method must offer a mode argument.
        #============================================================
        # N.B. this largely duplicates menu items now in Export
        #============================================================
        self.SeqExportLookup = {}
        self.SequentialEx = wx.Menu(title='')
        self.SequentialMenu.Append(menu=self.SequentialEx, title='Seq Export')
        for lbl,txt in (
                ('Project','Export entire sequential fit'),
                ('Phase','Export selected phase(s)'),
                ('Powder','Export selected powder histogram(s)'),
                ('sasd','Export selected small angle histogram(s)')):
            objlist = []
            for obj in self.parent.GetTopLevelParent().exporterlist:
                if lbl.lower() in obj.exporttype:
                    try:
                        obj.Writer
                    except AttributeError:
                        continue
                    if '2' in platform.python_version_tuple()[0]:
                        if 'mode' in inspect.getargspec(obj.Writer)[0]:
                            objlist.append(obj)
                    else:
                        if 'mode' in inspect.getfullargspec(obj.Writer)[0]:
                            objlist.append(obj)
            if objlist or lbl == 'Project':
                submenu = wx.Menu()
                item = self.SequentialEx.AppendSubMenu(submenu,lbl+' as',txt)
                if  lbl == 'Project':
                    G2G.Define_wxId('wxID_XPORTSEQFCIF')      
                    submenu.Append(G2G.wxID_XPORTSEQFCIF,'... as full CIF',
                            'Save all sequential refinement results as a CIF file')
                for obj in objlist:
                    item = submenu.Append(wx.ID_ANY,obj.formatName,obj.longFormatName)
                    self.SeqExportLookup[item.GetId()] = (obj,lbl) # lookup table for submenu item
                    # Bind is in UpdateSeqResults
            
        G2G.Define_wxId('wxID_XPORTSEQCSV')      
        self.SequentialEx.Append(G2G.wxID_XPORTSEQCSV,'Save table as CSV',
            'Save all sequential refinement results as a CSV spreadsheet file')
        self.PostfillDataMenu()
        
        #Cluster analysis  - what do I need here?
        self.ClusterAnalysisMenu = wx.MenuBar() 
        self.PrefillDataMenu(self.ClusterAnalysisMenu,empty=True)
        self.PostfillDataMenu(empty=True)
            
        # PWDR & SASD
        G2G.Define_wxId('wxID_PWDANALYSIS','wxID_PWDCOPY','wxID_PLOTCTRLCOPY','wxID_MERGEHKL',
            'wxID_PWDHKLPLOT', 'wxID_PWD3DHKLPLOT','wxID_3DALLHKLPLOT','wxID_1DHKLSTICKPLOT')            
        self.PWDRMenu = wx.MenuBar()
        self.PrefillDataMenu(self.PWDRMenu)
        self.ErrorAnal = wx.Menu(title='')
        self.PWDRMenu.Append(menu=self.ErrorAnal,title='Commands')
        self.ErrorAnal.Append(G2G.wxID_PWDANALYSIS,'Error Analysis','Error analysis on powder pattern')
        self.ErrorAnal.Append(G2G.wxID_PWDCOPY,'Copy params','Copy of PWDR parameters')
        self.ErrorAnal.Append(G2G.wxID_PLOTCTRLCOPY,'Copy plot controls','Copy of PWDR plot controls')
        self.moveDiffCurve = self.ErrorAnal.Append(wx.ID_ANY,'Move diff. curve',
            'Click on position where difference curve is placed')
        self.moveTickLoc = self.ErrorAnal.Append(wx.ID_ANY,'Move ticks','Move mouse to where tick marks should be positioned')
        self.moveTickSpc = self.ErrorAnal.Append(wx.ID_ANY,'Set tick space','Click to set spacing between phase tick marks')
        self.setPlotLim = self.ErrorAnal.Append(wx.ID_ANY,'Set plot limits...','Allows entry of plot min & max values')
        self.setPlotFmt = self.ErrorAnal.Append(wx.ID_ANY,'Set plot formatting...','Allows changes to text size and line widths, etc.')
        self.PostfillDataMenu()
            
        # HKLF - wxIDs defined in PWDR & SASD above
        self.HKLFMenu = wx.MenuBar()
        self.PrefillDataMenu(self.HKLFMenu)
        self.ErrorAnal = wx.Menu(title='')
        self.HKLFMenu.Append(menu=self.ErrorAnal,title='Commands')
        self.ErrorAnal.Append(G2G.wxID_PWDANALYSIS,'Error Analysis','Error analysis on single crystal data')
        self.ErrorAnal.Append(G2G.wxID_MERGEHKL,'Merge HKLs','Transform & merge HKLF data to new histogram')
        self.ErrorAnal.Append(G2G.wxID_1DHKLSTICKPLOT,'Plot 1D HKLs','Plot of HKLs from single crystal data in 1D')
        self.ErrorAnal.Append(G2G.wxID_PWD3DHKLPLOT,'Plot 3D HKLs','Plot HKLs from single crystal data in 3D')
        self.ErrorAnal.Append(G2G.wxID_3DALLHKLPLOT,'Plot all 3D HKLs','Plot HKLs from all single crystal data in 3D')
#        self.ErrorAnal.Append(G2G.wxID_PWDCOPY,'Copy params','Copy of HKLF parameters') #unused
        self.PostfillDataMenu()
            
        # PWDR / Limits
        G2G.Define_wxId('wxID_LIMITCOPY', 'wxID_ADDEXCLREGION',)
        self.LimitMenu = wx.MenuBar()
        self.PrefillDataMenu(self.LimitMenu)
        self.LimitEdit = wx.Menu(title='')
        self.LimitMenu.Append(menu=self.LimitEdit, title='Edit Limits')
        self.LimitEdit.Append(G2G.wxID_LIMITCOPY,'Copy','Copy limits to other histograms')
        self.LimitEdit.Append(G2G.wxID_ADDEXCLREGION,'Add exclude',
            'Add excluded region - select a point on plot; drag to adjust')            
        self.PostfillDataMenu()
            
        # PWDR / Background
        G2G.Define_wxId('wxID_BACKCOPY', 'wxID_BACKFLAGCOPY','wxID_MAKEBACKRDF', 
            'wxID_RESCALEALL','wxID_BACKPEAKSMOVE','wxID_BACKSAVE','wxID_BACKLOAD')
        self.BackMenu = wx.MenuBar()
        self.PrefillDataMenu(self.BackMenu)
        self.BackEdit = wx.Menu(title='')
        self.BackMenu.Append(menu=self.BackEdit, title='Background')
        self.BackEdit.Append(G2G.wxID_BACKCOPY,'Copy','Copy background parameters to other histograms')
        self.BackEdit.Append(G2G.wxID_BACKFLAGCOPY,'Copy flags',
            'Copy background refinement flags to other histograms')
        self.BackEdit.Append(G2G.wxID_BACKSAVE,'Save ...','Save background parameters to file')
        self.BackEdit.Append(G2G.wxID_BACKLOAD,'Load ...','Load background parameters from file')
        self.BackEdit.Append(G2G.wxID_BACKPEAKSMOVE,'Move peaks','Move background peaks to Peak List')
        self.BackEdit.Append(G2G.wxID_MAKEBACKRDF,'Plot RDF','Plot radial distribution from differences')
        self.BackFixed = wx.Menu(title='') # fixed background point menu
        self.BackMenu.Append(menu=self.BackFixed, title='Fixed Points')
        self.wxID_BackPts = {}
        self.wxID_BackPts['Add'] = wx.NewId() # N.B. not using wxID_ global as for other menu items
        self.BackFixed.AppendRadioItem(self.wxID_BackPts['Add'],'Add','Add fixed background points with mouse clicks')
        self.wxID_BackPts['Move'] = wx.NewId() 
        item = self.BackFixed.AppendRadioItem(self.wxID_BackPts['Move'],'Move','Move selected fixed background points with mouse drags')
        item.Check(True)
        self.wxID_BackPts['Del'] = wx.NewId()
        self.BackFixed.AppendRadioItem(self.wxID_BackPts['Del'],'Delete','Delete fixed background points with mouse clicks')
        self.wxID_BackPts['Clear'] = wx.NewId() 
        self.BackFixed.Append(self.wxID_BackPts['Clear'],'Clear','Clear fixed background points')
        self.wxID_BackPts['Fit'] = wx.NewId() 
        self.BackFixed.Append(self.wxID_BackPts['Fit'],'Fit background',
            'Fit background function to fixed background points')
        self.PostfillDataMenu()
            
        # PWDR / Instrument Parameters
        G2G.Define_wxId('wxID_INSTPRMRESET','wxID_INSTCOPY','wxID_INSTFLAGCOPY','wxID_INSTLOAD',
            'wxID_INSTSAVE', 'wxID_INST1VAL', 'wxID_INSTCALIB', 'wxID_INSTSAVEALL',
            'wxID_INSTSHOWMULT',)
        self.InstMenu = wx.MenuBar()
        self.PrefillDataMenu(self.InstMenu)
        self.InstEdit = wx.Menu(title='')
        self.InstMenu.Append(menu=self.InstEdit, title='Operations')
        self.InstEdit.Append(G2G.wxID_INSTCALIB,'Calibrate','Calibrate from indexed peaks')
        self.InstEdit.Append(G2G.wxID_INSTPRMRESET,'Reset profile','Reset instrument profile parameters to default')
        self.InstEdit.Append(G2G.wxID_INSTLOAD,'Load profile...','Load instrument profile parameters from file')
        self.InstEdit.Append(G2G.wxID_INSTSAVE,'Save profile...','Save instrument profile parameters to file')
        self.InstEdit.Append(G2G.wxID_INSTSAVEALL,'Save all profile...','Save all instrument profile parameters to one file')
        self.InstEdit.Append(G2G.wxID_INSTCOPY,'Copy','Copy instrument profile parameters to other histograms')
        self.InstEdit.Append(G2G.wxID_INSTFLAGCOPY,'Copy flags','Copy instrument parameter refinement flags to other histograms')
        self.InstEdit.Append(G2G.wxID_INST1VAL,'Set one value','Set one instrument parameter value across multiple histograms')
        self.InstEdit.AppendCheckItem(G2G.wxID_INSTSHOWMULT,'Show multiple','Show multiple histograms of same type as current')
        self.PostfillDataMenu()
        
        # PWDR / Sample Parameters
        G2G.Define_wxId('wxID_SAMPLECOPY', 'wxID_SAMPLECOPYSOME', 'wxID_SAMPLEFLAGCOPY','wxID_SAMPLESAVE',
             'wxID_SAMPLELOAD', 'wxID_SETSCALE', 'wxID_SAMPLE1VAL', 'wxID_ALLSAMPLELOAD',)            
        self.SampleMenu = wx.MenuBar()
        self.PrefillDataMenu(self.SampleMenu)
        self.SampleEdit = wx.Menu(title='')
        self.SampleMenu.Append(menu=self.SampleEdit, title='Command')
        self.SetScale = self.SampleEdit.Append(G2G.wxID_SETSCALE,'Set scale','Set scale by matching to another histogram')
        self.SampleEdit.Append(G2G.wxID_SAMPLELOAD,'Load','Load sample parameters from file')
        self.SampleEdit.Append(G2G.wxID_SAMPLESAVE,'Save','Save sample parameters to file')
        self.SampleEdit.Append(G2G.wxID_SAMPLECOPY,'Copy','Copy refinable and most other sample parameters to other histograms')
        self.SampleEdit.Append(G2G.wxID_SAMPLECOPYSOME,'Copy selected...','Copy selected sample parameters to other histograms')
        self.SampleEdit.Append(G2G.wxID_SAMPLEFLAGCOPY,'Copy flags','Copy sample parameter refinement flags to other histograms')
        self.SampleEdit.Append(G2G.wxID_SAMPLE1VAL,'Set one value','Set one sample parameter value across multiple histograms')
        self.SampleEdit.Append(G2G.wxID_ALLSAMPLELOAD,'Load all','Load sample parameters over multiple histograms')
        self.SampleEdit.Append(G2G.wxID_RESCALEALL,'Rescale all','Rescale all data with selected range')
        self.PostfillDataMenu()
        self.SetScale.Enable(False)

        # PWDR / Peak List
        G2G.Define_wxId('wxID_UNDO', 'wxID_LSQPEAKFIT', 'wxID_LSQONECYCLE', 'wxID_RESETSIGGAM', 
            'wxID_CLEARPEAKS', 'wxID_AUTOSEARCH','wxID_PEAKSCOPY', 'wxID_SEQPEAKFIT','wxID_PEAKLOAD','wxID_PEAKSAVE')
        self.PeakMenu = wx.MenuBar()
        self.PrefillDataMenu(self.PeakMenu)
        self.PeakEdit = wx.Menu(title='')
        self.PeakMenu.Append(menu=self.PeakEdit, title='Peak Fitting')
        self.peaksSel = self.PeakEdit.Append(wx.ID_ANY,'Set sel. ref flags...','Set refinement flags for selected peaks')
        self.peaksAll = self.PeakEdit.Append(wx.ID_ANY,'Set all ref flags...','Set refinement flags for all peaks')
        self.AutoSearch = self.PeakEdit.Append(G2G.wxID_AUTOSEARCH,'Auto search','Automatic peak search')
        self.UnDo = self.PeakEdit.Append(G2G.wxID_UNDO,'UnDo','Undo last least squares refinement')
        self.PeakFit = self.PeakEdit.Append(G2G.wxID_LSQPEAKFIT,'Peakfit\tCtrl+P','Peak fitting' )
        self.PFOneCycle = self.PeakEdit.Append(G2G.wxID_LSQONECYCLE,'Peakfit one cycle','One cycle of Peak fitting' )
        self.PeakEdit.Append(G2G.wxID_RESETSIGGAM,'Reset sig and gam','Reset sigma and gamma to global fit' )
        self.PeakCopy = self.PeakEdit.Append(G2G.wxID_PEAKSCOPY,'Peak copy','Copy peaks to other histograms')
        self.PeakEdit.Append(G2G.wxID_PEAKLOAD,'Load peaks...','Load peak list from file')
        self.PeakEdit.Append(G2G.wxID_PEAKSAVE,'Save peaks...','Save peak list to file')
        self.SeqPeakFit = self.PeakEdit.Append(G2G.wxID_SEQPEAKFIT,'Seq PeakFit', 
            'Sequential Peak fitting for all histograms' )
        G2G.Define_wxId('wxID_DELPEAKS')
        self.PeakEdit.Append(G2G.wxID_DELPEAKS,'Delete peaks','Delete selected peaks from the list' )
        self.PeakEdit.Append(G2G.wxID_CLEARPEAKS,'Clear peaks','Clear the peak list' )
        self.movePeak = self.PeakEdit.Append(wx.ID_ANY,'Move selected peak',
            'Select a peak in the table, then use this to move it with the mouse.')
        G2G.Define_wxId('wxID_SETUNVARIEDWIDTHS')
        self.setPeakMode = self.PeakEdit.Append(G2G.wxID_SETUNVARIEDWIDTHS,
                'Gen unvaried widths',
                'When unvaried, Generate sigma & gamma from UVWXY...',
                kind=wx.ITEM_CHECK)
        self.setPeakMode.Check(True)
        G2G.Define_wxId('wxID_XTRAPEAKMODE')
        self.XtraPeakMode = self.PeakEdit.Append(G2G.wxID_XTRAPEAKMODE,
                'Add impurity/subgrp/magnetic peaks',
                'Set positions of magnetic, impurity or subgroup peaks',
                kind=wx.ITEM_CHECK)
        self.XtraPeakMode.Check(False)
        
        self.PostfillDataMenu()
        self.UnDo.Enable(False)
        self.PeakFit.Enable(False)
        self.PFOneCycle.Enable(False)
        self.AutoSearch.Enable(True)
        
        # PWDR / Index Peak List
        G2G.Define_wxId('wxID_INDXRELOAD','wxID_INDEXSAVE','wxID_INDEXEXPORTDICVOL')
        self.IndPeaksMenu = wx.MenuBar()
        self.PrefillDataMenu(self.IndPeaksMenu)
        self.IndPeaksEdit = wx.Menu(title='')
        self.IndPeaksMenu.Append(menu=self.IndPeaksEdit,title='Operations')
        self.IndPeaksEdit.Append(G2G.wxID_INDXRELOAD,'Load/Reload','Load/Reload index peaks from peak list')
        self.IndPeaksEdit.Append(G2G.wxID_INDEXSAVE,'Save','Save index peaks to CSV file')
        self.IndPeaksEdit.Append(G2G.wxID_INDEXEXPORTDICVOL,'Export to PreDICT','Export index peaks to PreDICT (.csv)')
        self.PostfillDataMenu()
        
        # PWDR / Unit Cells List
        G2G.Define_wxId('wxID_INDEXPEAKS', 'wxID_REFINECELL', 'wxID_COPYCELL', 'wxID_MAKENEWPHASE',
            'wxID_EXPORTCELLS','wxID_LOADCELL','wxID_IMPORTCELL','wxID_TRANSFORMCELL','wxID_RUNSUB','wxID_RUNSUBMAG','wxID_LATSYM')
        self.IndexMenu = wx.MenuBar()
        self.PrefillDataMenu(self.IndexMenu)
        self.IndexEdit = wx.Menu(title='')
        self.IndexMenu.Append(menu=self.IndexEdit, title='Cell Index/Refine')
        self.IndexPeaks = self.IndexEdit.Append(G2G.wxID_INDEXPEAKS,'Index Cell',
            'Find cells that index fitted peaks')
        self.IndexEdit.Append(G2G.wxID_LATSYM,'Cell Symmetry Search-Bilbao',
            'Run Bilboa "Lattice Symmetry" to find higher symmetry cells')
        G2G.Define_wxId('wxID_NISTLATSYM')
        self.IndexEdit.Append(G2G.wxID_NISTLATSYM,'Cell Symmetry Search-NIST*LATTICE',
            'Run NIST*LATTICE to find higher symmetry cells')
        self.RunSubGroups = self.IndexEdit.Append(G2G.wxID_RUNSUB,'Run SUBGROUPS',
            'If disabled, do Load Phase first')
        self.RunSubGroupsMag = self.IndexEdit.Append(G2G.wxID_RUNSUBMAG,'Run k-SUBGROUPMAG',
            'If disabled, do Load Phase first')
        self.CopyCell = self.IndexEdit.Append(G2G.wxID_COPYCELL,'Copy Cell', 
            'Copy selected unit cell from indexing to cell refinement fields')
        self.LoadCell = self.IndexEdit.Append(G2G.wxID_LOADCELL,'Load Phase', 
            'Load unit cell from a phase tree entry')
        self.ImportCell = self.IndexEdit.Append(G2G.wxID_IMPORTCELL,'Import Cell', 
            'Import unit cell from file')
        self.TransposeCell = self.IndexEdit.Append(G2G.wxID_TRANSFORMCELL,'Transform Cell', 
            'Transform unit cell')
        self.RefineCell = self.IndexEdit.Append(G2G.wxID_REFINECELL,'Refine Cell',
            'Refine unit cell parameters from indexed peaks')
        self.MakeNewPhase = self.IndexEdit.Append(G2G.wxID_MAKENEWPHASE,'Make new phase',
            'Make new phase from selected unit cell')
        self.ExportCells = self.IndexEdit.Append(G2G.wxID_EXPORTCELLS,'Export cell list','Export cell list to csv file')
        G2G.Define_wxId('wxID_SHOWGENHKLS')
        self.IndexEdit.Append(G2G.wxID_SHOWGENHKLS,'Show reflections','Show generated reflection positions on console')
        self.PostfillDataMenu()
        self.LoadCell.Enable(False)
        self.IndexPeaks.Enable(False)
        self.RunSubGroups.Enable(False)
        self.RunSubGroupsMag.Enable(False)
        self.CopyCell.Enable(False)
        self.RefineCell.Enable(False)
        self.MakeNewPhase.Enable(False)
        
        # PWDR / Reflection Lists
        G2G.Define_wxId('wxID_SELECTPHASE','wxID_SHOWHIDEEXTINCT','wxID_WILSONSTAT','wxID_CSVFROMTABLE' ) #some wxIDs defined above in PWDR & SASD
        self.ReflMenu = wx.MenuBar()
        self.PrefillDataMenu(self.ReflMenu)
        self.ReflEdit = wx.Menu(title='')
        self.ReflMenu.Append(menu=self.ReflEdit, title='Reflection List')
        self.SelectPhase = self.ReflEdit.Append(G2G.wxID_SELECTPHASE,'Select phase','Select phase for reflection list')
        self.ReflEdit.Append(G2G.wxID_1DHKLSTICKPLOT,'Plot 1D HKLs','Plot of HKLs in 1D')
        self.ReflEdit.Append(G2G.wxID_PWDHKLPLOT,'Plot HKLs','Plot HKLs in 2D')
        self.ReflEdit.Append(G2G.wxID_PWD3DHKLPLOT,'Plot 3D HKLs','Plot HKLs in 3D')
        self.ReflEdit.Append(G2G.wxID_CSVFROMTABLE,'Make csv file from table','Make csv file from table')
        self.ReflEdit.Append(G2G.wxID_WILSONSTAT,'Wilson statistics')
        self.HideShow = self.ReflEdit.Append(G2G.wxID_SHOWHIDEEXTINCT,'Show/hide extinct reflections')
        self.PostfillDataMenu()
        
        # SASD & REFD / Limits
        G2G.Define_wxId('wxID_SASDLIMITCOPY', )
        self.SASDLimitMenu = wx.MenuBar()
        self.PrefillDataMenu(self.SASDLimitMenu)
        self.SASDLimitEdit = wx.Menu(title='')
        self.SASDLimitMenu.Append(menu=self.SASDLimitEdit, title='Edit Limits')
        self.SASDLimitEdit.Append(G2G.wxID_SASDLIMITCOPY,'Copy','Copy limits to other histograms')
        self.PostfillDataMenu()
            
        # SASD / Instrument Parameters
        G2G.Define_wxId('wxID_SASDINSTCOPY',)
        self.SASDInstMenu = wx.MenuBar()
        self.PrefillDataMenu(self.SASDInstMenu)
        self.SASDInstEdit = wx.Menu(title='')
        self.SASDInstMenu.Append(menu=self.SASDInstEdit, title='Operations')
        self.SASDInstEdit.Append(G2G.wxID_SASDINSTCOPY,'Copy','Copy instrument profile parameters to other histograms')
        self.PostfillDataMenu()
        
        #SASD & REFL/ Substance editor
        G2G.Define_wxId('wxID_LOADSUBSTANCE','wxID_RELOADSUBSTANCES','wxID_ADDSUBSTANCE','wxID_COPYSUBSTANCE',
            'wxID_DELETESUBSTANCE','wxID_ELEMENTADD', 'wxID_ELEMENTDELETE',)    
        self.SubstanceMenu = wx.MenuBar()
        self.PrefillDataMenu(self.SubstanceMenu)
        self.SubstanceEdit = wx.Menu(title='')
        self.SubstanceMenu.Append(menu=self.SubstanceEdit, title='Edit substance')
        self.SubstanceEdit.Append(G2G.wxID_LOADSUBSTANCE,'Load substance','Load substance from file')
        self.SubstanceEdit.Append(G2G.wxID_RELOADSUBSTANCES,'Reload substances','Reload all substances from file')
        self.SubstanceEdit.Append(G2G.wxID_ADDSUBSTANCE,'Add substance','Add new substance to list')
        self.SubstanceEdit.Append(G2G.wxID_COPYSUBSTANCE,'Copy substances','Copy substances')
        self.SubstanceEdit.Append(G2G.wxID_DELETESUBSTANCE,'Delete substance','Delete substance from list')            
        self.SubstanceEdit.Append(G2G.wxID_ELEMENTADD,'Add elements','Add elements to substance')
        self.SubstanceEdit.Append(G2G.wxID_ELEMENTDELETE,'Delete elements','Delete elements from substance')
        self.PostfillDataMenu()
        
        # SASD/ Models
        G2G.Define_wxId('wxID_MODELCOPY', 'wxID_MODELFIT', 'wxID_MODELADD','wxID_MODELUNDO', 
            'wxID_MODELFITALL', 'wxID_MODELCOPYFLAGS','wxID_MODELPLOT',)    
        self.ModelMenu = wx.MenuBar()
        self.PrefillDataMenu(self.ModelMenu)
        self.ModelEdit = wx.Menu(title='')
        self.ModelMenu.Append(menu=self.ModelEdit, title='Models')
        self.ModelEdit.Append(G2G.wxID_MODELADD,'Add','Add new term to model')
        self.ModelEdit.Append(G2G.wxID_MODELFIT,'Fit','Fit model parameters to data')
        self.SasdUndo = self.ModelEdit.Append(G2G.wxID_MODELUNDO,'Undo','Undo model fit')
        self.SasdUndo.Enable(False)            
        self.SasSeqFit = self.ModelEdit.Append(G2G.wxID_MODELFITALL,'Sequential fit','Sequential fit of model parameters to all SASD data')
        self.SasSeqFit.Enable(False)
        self.ModelEdit.Append(G2G.wxID_MODELCOPY,'Copy','Copy model parameters to other histograms')
        self.ModelEdit.Append(G2G.wxID_MODELCOPYFLAGS,'Copy flags','Copy model refinement flags to other histograms')
        self.PostfillDataMenu()
        
        # REFD/ Models - wxIDs as for SASD/Models
        self.REFDModelMenu = wx.MenuBar()
        self.PrefillDataMenu(self.REFDModelMenu)
        self.REFDModelEdit = wx.Menu(title='')
        self.REFDModelMenu.Append(menu=self.REFDModelEdit, title='Models')
        self.REFDModelEdit.Append(G2G.wxID_MODELFIT,'Fit','Fit model parameters to data')
        self.REFDUndo = self.REFDModelEdit.Append(G2G.wxID_MODELUNDO,'Undo','Undo model fit')
        self.REFDUndo.Enable(False)            
        self.REFDModelEdit.Append(G2G.wxID_MODELFITALL,'Sequential fit','Sequential fit of model parameters to all REFD data')
        self.REFDModelEdit.Append(G2G.wxID_MODELCOPY,'Copy','Copy model parameters to other histograms')
        self.REFDModelEdit.Append(G2G.wxID_MODELPLOT,'Plot','Plot model SDL for selected histograms')
        self.PostfillDataMenu()

        # IMG / Image Controls
        G2G.Define_wxId('wxID_IMCALIBRATE', 'wxID_IMRECALIBRATE', 'wxID_IMINTEGRATE', 'wxID_IMCLEARCALIB', 'wxID_IMRECALIBALL', 
            'wxID_IMCOPYCONTROLS', 'wxID_INTEGRATEALL', 'wxID_IMSAVECONTROLS', 'wxID_IMLOADCONTROLS', 'wxID_IMAUTOINTEG',
            'wxID_IMCOPYSELECTED', 'wxID_SAVESELECTEDCONTROLS', 'wxID_IMXFERCONTROLS', 'wxID_IMRESETDIST', 'wxID_CALCRINGS',
            'wxID_LOADELECTEDCONTROLS','wxID_IMDISTRECALIB', 'wxID_IMINTEGPDFTOOL')
        self.ImageMenu = wx.MenuBar()
        self.PrefillDataMenu(self.ImageMenu)
        self.ImageEdit = wx.Menu(title='')
        self.ImageMenu.Append(menu=self.ImageEdit, title='Calibration')
        self.ImageEdit.Append(G2G.wxID_IMCALIBRATE,'Calibrate','Calibrate detector by fitting to calibrant lines')
        self.ImageEdit.Append(G2G.wxID_IMRECALIBRATE,'Recalibrate','Recalibrate detector by fitting to calibrant lines')
        self.ImageEdit.Append(G2G.wxID_IMRECALIBALL,'Recalibrate all','Recalibrate all images by fitting to calibrant lines')
        self.ImageEdit.Append(G2G.wxID_CALCRINGS,'Calculate rings','Calculate rings from calibration parameters')
        self.ImageEdit.Append(G2G.wxID_IMDISTRECALIB,'Multi-distance Recalibrate','Recalibrate all images varying delta-distance and fitting wavelength')
        self.ImageEdit.Append(G2G.wxID_IMCLEARCALIB,'Clear calibration','Clear calibration data points and rings')
        
        ImageIntegrate = wx.Menu(title='')
        self.ImageMenu.Append(menu=ImageIntegrate, title='Integration')
        ImageIntegrate.Append(G2G.wxID_IMINTEGRATE,'Integrate','Integrate selected image')
        ImageIntegrate.Append(G2G.wxID_INTEGRATEALL,'Integrate all','Integrate all images selected from list')
        ImageIntegrate.Append(G2G.wxID_IMAUTOINTEG,'Auto Integrate','Open Auto-integration window to integrate a series of images')
        ImageIntegrate.Append(G2G.wxID_IMINTEGPDFTOOL,'Integrate/PDF app (in dev)','Start Integration/PDF task (in development)')

        ImageParams = wx.Menu(title='')
        self.ImageMenu.Append(menu=ImageParams, title='Parms')
        ImageParams.Append(G2G.wxID_IMCOPYCONTROLS,'Copy Controls','Copy image controls to other images')
        ImageParams.Append(G2G.wxID_IMCOPYSELECTED,'Copy Selected','Copy selected image controls to other images')
        ImageParams.Append(G2G.wxID_IMSAVECONTROLS,'Save Controls','Save image controls to file')
        ImageParams.Append(G2G.wxID_SAVESELECTEDCONTROLS,'Save Multiple Controls','Save controls from selected images to file')
        ImageParams.Append(G2G.wxID_IMLOADCONTROLS,'Load Controls','Load image controls from file')
        ImageParams.Append(G2G.wxID_LOADELECTEDCONTROLS,'Load Multiple Controls','Load multiple image controls from multiple files')
        ImageParams.Append(G2G.wxID_IMXFERCONTROLS,'Xfer controls','Transfer integration controls to other detector distances')
        ImageParams.Append(G2G.wxID_IMRESETDIST,'Reset dist','Reset all detector dist to set dist')
        self.PostfillDataMenu()
            
        # IMG / Masks
        G2G.Define_wxId('wxID_MASKCOPY', 'wxID_MASKSAVE', 'wxID_MASKLOAD', 'wxID_NEWMASKSPOT', 'wxID_NEWMASKARC', 'wxID_NEWMASKRING',
            'wxID_NEWMASKFRAME', 'wxID_NEWMASKPOLY','wxID_NEWMASKXLINE','wxID_NEWMASKYLINE','wxID_MASKLOADNOT',
            'wxID_FINDSPOTS', 'wxID_AUTOFINDSPOTS', 'wxID_DELETESPOTS',)
        self.MaskMenu = wx.MenuBar()
        self.PrefillDataMenu(self.MaskMenu)
        self.MaskEdit = wx.Menu(title='')
        self.MaskMenu.Append(menu=self.MaskEdit, title='Operations')
        submenu = wx.Menu()
        self.MaskEdit.AppendSubMenu( submenu,'Create new','')
        self.MaskEdit.Append(G2G.wxID_MASKCOPY,'Copy mask','Copy mask to other images')
        self.MaskEdit.Append(G2G.wxID_MASKSAVE,'Save mask','Save mask to file')
        self.MaskEdit.Append(G2G.wxID_MASKLOADNOT,'Load mask','Load mask from file; ignoring threshold')
        self.MaskEdit.Append(G2G.wxID_MASKLOAD,'Load mask w/threshold','Load mask from file keeping the threshold value')
        self.MaskEdit.Append(G2G.wxID_FINDSPOTS,'Pixel mask search','Search for pixels to mask; NB: slow')
        self.MaskEdit.Append(G2G.wxID_AUTOFINDSPOTS,'Multi-IMG pixel mask search','Search multiple images for pixels to mask; NB: slow')
        self.MaskEdit.Append(G2G.wxID_DELETESPOTS,'Delete spot masks','Delete all spot masks')
        submenu.Append(G2G.wxID_NEWMASKARC,'Arc mask','Create an arc mask with mouse input')
        submenu.Append(G2G.wxID_NEWMASKFRAME,'Frame mask','Create a frame mask with mouse input')
        submenu.Append(G2G.wxID_NEWMASKPOLY,'Polygon mask','Create a polygon mask with mouse input')
        submenu.Append(G2G.wxID_NEWMASKRING,'Ring mask','Create a ring mask with mouse input')
        submenu.Append(G2G.wxID_NEWMASKSPOT,'Spot mask','Create spot masks with mouse input')
        submenu.Append(G2G.wxID_NEWMASKXLINE,'X line mask','Create line masks with mouse input')
        submenu.Append(G2G.wxID_NEWMASKYLINE,'Y line mask','Create line masks with mouse input')
        self.PostfillDataMenu()
            
        # IMG / Stress/Strain
        G2G.Define_wxId('wxID_STRSTACOPY', 'wxID_STRSTAFIT', 'wxID_STRSTASAVE', 'wxID_STRSTALOAD', 'wxID_STRSTSAMPLE',
            'wxID_APPENDDZERO', 'wxID_STRSTAALLFIT', 'wxID_UPDATEDZERO', 'wxID_STRSTAPLOT', 'wxID_STRRINGSAVE',)        
        self.StrStaMenu = wx.MenuBar()
        self.PrefillDataMenu(self.StrStaMenu)
        self.StrStaEdit = wx.Menu(title='')
        self.StrStaMenu.Append(menu=self.StrStaEdit, title='Operations')
        self.StrStaEdit.Append(G2G.wxID_APPENDDZERO,'Append d-zero','Append d-zero for one ring')
        self.StrStaEdit.Append(G2G.wxID_STRSTAFIT,'Fit stress/strain','Fit stress/strain data')
        self.StrStaEdit.Append(G2G.wxID_STRSTAPLOT,'Plot intensity distribution','Plot intensity distribution')
        self.StrStaEdit.Append(G2G.wxID_STRRINGSAVE,'Save intensity distribution','Save intensity distribution')
        self.StrStaEdit.Append(G2G.wxID_UPDATEDZERO,'Update d-zero','Update d-zero from ave d-zero')        
        self.StrStaEdit.Append(G2G.wxID_STRSTAALLFIT,'All image fit','Fit stress/strain data for all images')
        self.StrStaEdit.Append(G2G.wxID_STRSTACOPY,'Copy stress/strain','Copy stress/strain data to other images')
        self.StrStaEdit.Append(G2G.wxID_STRSTASAVE,'Save stress/strain','Save stress/strain data to file')
        self.StrStaEdit.Append(G2G.wxID_STRSTALOAD,'Load stress/strain','Load stress/strain data from file')
        self.StrStaEdit.Append(G2G.wxID_STRSTSAMPLE,'Load sample data','Load sample data from file')
        self.PostfillDataMenu()
            
        # PDF / PDF Controls
        G2G.Define_wxId('wxID_PDFCOPYCONTROLS', 'wxID_PDFSAVECONTROLS', 'wxID_PDFLOADCONTROLS', 'wxID_PDFCOMPUTE',
            'wxID_PDFCOMPUTEALL', 'wxID_PDFADDELEMENT', 'wxID_PDFDELELEMENT',)
        self.PDFMenu = wx.MenuBar()
        self.PrefillDataMenu(self.PDFMenu)
        self.PDFEdit = wx.Menu(title='')
        self.PDFMenu.Append(menu=self.PDFEdit, title='PDF Controls')
        self.PDFEdit.Append(G2G.wxID_PDFADDELEMENT,'Add elements','Add one or more elements to sample composition')
        self.PDFEdit.Append(G2G.wxID_PDFDELELEMENT,'Delete element','Delete element from sample composition')
        self.PDFEdit.Append(G2G.wxID_PDFCOPYCONTROLS,'Copy controls','Copy PDF controls')
        self.PDFEdit.Append(G2G.wxID_PDFLOADCONTROLS,'Load Controls','Load PDF controls from file')
        self.PDFEdit.Append(G2G.wxID_PDFSAVECONTROLS,'Save controls','Save PDF controls to file')
        self.PDFEdit.Append(G2G.wxID_PDFCOMPUTE,'Compute PDF','Compute PDF')
        self.PDFEdit.Append(G2G.wxID_PDFCOMPUTEALL,'Compute all PDFs','Compute all PDFs with or w/o optimization')
        self.PostfillDataMenu()
        
        # PDF / PDF Peaks
        G2G.Define_wxId('wxID_PDFPKSFIT','wxID_PDFPKSFITALL', 'wxID_PDFCOPYPEAKS', 'wxID_CLEARPDFPEAKS',)
        self.PDFPksMenu = wx.MenuBar()
        self.PrefillDataMenu(self.PDFPksMenu)
        self.PDFPksEdit = wx.Menu(title='')
        self.PDFPksMenu.Append(menu=self.PDFPksEdit, title='PDF Peaks')
        self.PDFPksEdit.Append(G2G.wxID_PDFPKSFIT,'PDF peak fit','Fit PDF peaks')
        self.PDFPksEdit.Append(G2G.wxID_PDFPKSFITALL,'Seq PDF peak fit','Sequential Peak fitting for all PDFs')
        self.PDFPksEdit.Append(G2G.wxID_PDFCOPYPEAKS,'Copy peaks','Copy PDF peaks')
        self.PDFPksEdit.Append(G2G.wxID_CLEARPDFPEAKS,'Clear peaks','Clear PDF peaks')        
        self.PostfillDataMenu()

        # Phase / General tab
        G2G.Define_wxId('wxID_FOURCALC', 'wxID_FOURSEARCH', 'wxID_FOURCLEAR','wxID_CHARGEFLIP','wxID_VALIDPROTEIN', 
            'wxID_MULTIMCSA','wxID_SINGLEMCSA', 'wxID_4DCHARGEFLIP', 'wxID_TRANSFORMSTRUCTURE','wxID_USEBILBAOMAG',
            'wxID_COMPARESTRUCTURE','wxID_COMPARECELLS','wxID_USEBILBAOSUB')
        self.DataGeneral = wx.MenuBar()
        self.PrefillDataMenu(self.DataGeneral)
        self.DataGeneral.Append(menu=wx.Menu(title=''),title='Select tab')
        self.GeneralCalc = wx.Menu(title='')
        self.DataGeneral.Append(menu=self.GeneralCalc,title='Compute')
        self.GeneralCalc.Append(G2G.wxID_FOURCALC,'Fourier map','Compute Fourier map',)
        self.GeneralCalc.Append(G2G.wxID_FOURSEARCH,'Search map','Search Fourier map')
        self.GeneralCalc.Append(G2G.wxID_CHARGEFLIP,'Charge flipping','Run charge flipping')
        self.GeneralCalc.Append(G2G.wxID_4DCHARGEFLIP,'4D Charge flipping','Run 4D charge flipping')
        self.GeneralCalc.Enable(G2G.wxID_4DCHARGEFLIP,False)   
        self.GeneralCalc.Append(G2G.wxID_FOURCLEAR,'Clear map','Clear map')
        self.GeneralCalc.Append(G2G.wxID_SINGLEMCSA,'MC/SA','Run Monte Carlo - Simulated Annealing')
        self.GeneralCalc.Append(G2G.wxID_MULTIMCSA,'Multi MC/SA','Run Monte Carlo - Simulated Annealing on multiprocessors')
        self.GeneralCalc.Append(G2G.wxID_TRANSFORMSTRUCTURE,'Transform','Transform crystal structure')
        G2G.Define_wxId('wxID_TRANSFORMSTD')
        self.GeneralCalc.Append(G2G.wxID_TRANSFORMSTD,'Std setting','Create a copy of this phase transformed into the standard setting')
        self.GeneralCalc.Append(G2G.wxID_COMPARECELLS,'Compare Cells','Compare Unit Cells using NIST*LATTICE')
        self.GeneralCalc.Append(G2G.wxID_COMPARESTRUCTURE,'Compare polyhedra','Compare polyhedra to ideal octahedra/tetrahedra')
        self.GeneralCalc.Enable(G2G.wxID_COMPARESTRUCTURE,False)   
        self.GeneralCalc.Append(G2G.wxID_USEBILBAOMAG,'Select magnetic/subgroup phase','If disabled, make in PWDR/Unit Cells')
        self.GeneralCalc.Append(G2G.wxID_USEBILBAOSUB,'Make subgroup project file(s)','Requires subcell search in PWDR/Unit Cells')
        G2G.Define_wxId('wxID_SUPERSRCH')
        self.GeneralCalc.Append(G2G.wxID_SUPERSRCH,'Bilbao Supergroup search','Search for settings of this phase in higher symmetry')
        G2G.Define_wxId('wxID_ISOSRCH')
        self.GeneralCalc.Append(G2G.wxID_ISOSRCH,'ISOCIF Supergroup search','Search for settings of this phase in higher symmetry')
        self.GeneralCalc.Append(G2G.wxID_VALIDPROTEIN,'Protein quality','Protein quality analysis')
        self.PostfillDataMenu()
        
        # Phase / Data tab or Hist/Phase menu (used in one place or other)
        G2G.Define_wxId('wxID_DATACOPY', 'wxID_DATACOPYFLAGS', 'wxID_DATASELCOPY', 'wxID_DATAUSE',
            'wxID_PWDRADD', 'wxID_HKLFADD','wxID_DATADELETE',
            'wxID_DATASELREAD', )
        self.DataMenu = wx.MenuBar()
        self.PrefillDataMenu(self.DataMenu)
        self.DataMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.DataEdit = wx.Menu(title='')
        self.DataMenu.Append(menu=self.DataEdit, title='Edit Phase')
        self.DataEdit.Append(G2G.wxID_DATACOPY,'Copy data','Copy phase data to other histograms')
        self.DataEdit.Append(G2G.wxID_DATACOPYFLAGS,'Copy flags','Copy phase data flags to other histograms')
        self.DataEdit.Append(G2G.wxID_DATASELCOPY,'Copy selected data','Copy selected phase data to other histograms')
        self.DataEdit.Append(G2G.wxID_DATAUSE,'Select used data','Select all histograms to use')
        self.DataEdit.Append(G2G.wxID_PWDRADD,'Add powder histograms','Select new powder histograms to be used for this phase')
        self.DataEdit.Append(G2G.wxID_HKLFADD,'Add single crystal histograms','Select new single crystal histograms to be used for this phase')
        self.DataEdit.Append(G2G.wxID_DATADELETE,'Remove histograms','Remove histograms from use for this phase')
        G2G.Define_wxId('wxID_DATADIJ')
        self.DataEdit.Append(G2G.wxID_DATADIJ,'Apply Strain to Lattice Constants',
                             'Shift cell by Dij of selected histogram')
        self.DataEdit.Append(G2G.wxID_DATASELREAD,'Read selected data from .gpx','Read selected phase/hist data from a saved GSAS-II project')
        self.PostfillDataMenu()
            
        # Phase / Atoms tab
        G2G.Define_wxId('wxID_ATOMSEDITADD', 'wxID_ATOMSEDITINSERT', 'wxID_ATOMSEDITDELETE',
            'wxID_ATOMSMODIFY', 'wxID_ATOMSTRANSFORM', 'wxID_ATOMSVIEWADD', 'wxID_ATOMVIEWINSERT',
            'wxID_RELOADDRAWATOMS', 'wxID_ATOMSDISAGL', 'wxID_ATOMMOVE', 'wxID_MAKEMOLECULE',
            'wxID_ATOMSPDISAGL', 'wxID_ISODISP', 'wxID_ADDHATOM', 'wxID_UPDATEHATOM',
            'wxID_ATOMSROTATE', 'wxID_ATOMSDENSITY','wxID_ATOMSBNDANGLHIST', 
            'wxID_ATOMSSETALL', 'wxID_ATOMSSETSEL','wxID_ATOMFRACSPLIT','wxID_COLLECTATOMS',
            'wxID_ATOMSSETVP', 'wxID_ATOMSSETLST')
        self.AtomsMenu = wx.MenuBar()
        self.PrefillDataMenu(self.AtomsMenu)
        self.AtomsMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.AtomEdit = wx.Menu(title='')
        self.AtomCompute = wx.Menu(title='')
        self.AtomsMenu.Append(menu=self.AtomEdit, title='Edit Atoms')
        self.AtomsMenu.Append(menu=self.AtomCompute, title='Compute')
        submenu = wx.Menu()
        self.AtomEdit.AppendSubMenu(submenu,'On selected atoms...','Set/Act on selected atoms')
        submenu.Append(G2G.wxID_ATOMSSETSEL,'Refine selected','Set refinement flags for selected atoms')
        submenu.Append(G2G.wxID_ATOMSMODIFY,'Modify parameters','Modify parameters values for all selected atoms')
        submenu.Append(G2G.wxID_ATOMSSETVP,'Set viewpoint','Set the viewpoint to be position of 1st selected atom')
        submenu.Append(G2G.wxID_ATOMMOVE,'Move atom to view point','Move a single atom to viewpoint in plot')
        submenu.Append(G2G.wxID_ATOMSEDITINSERT,'Insert atom','Inserts an H atom before all selected atoms')
        submenu.Append(G2G.wxID_ATOMVIEWINSERT,'Insert viewpoint','Select atom row to insert before; inserted as an H atom')
        submenu.Append(G2G.wxID_ADDHATOM,'Calc H atoms','Insert H atoms in expected bonding positions for selected atoms')
        submenu.Append(G2G.wxID_ATOMSEDITDELETE,'Delete atom','Delete selected atoms')
        submenu.Append(G2G.wxID_ATOMSTRANSFORM,'Transform atoms','Symmetry transform selected atoms')
        submenu.Append(G2G.wxID_ATOMSSETALL,'Select All','Select all atoms')
        submenu.Append(G2G.wxID_ATOMSSETLST,'Select from list','Select atoms from a filtered listbox')

        self.AtomEdit.Append(G2G.wxID_ATOMSEDITADD,'Append atom','Appended as an H atom')
        self.AtomEdit.Append(G2G.wxID_ATOMSVIEWADD,'Append view point','Appended as an H atom')
        self.AtomEdit.Append(G2G.wxID_UPDATEHATOM,'Update H atoms','Update H atoms in standard positions')
        self.AtomEdit.Append(G2G.wxID_MAKEMOLECULE,'Assemble molecule','Select a single atom to assemble as a molecule from scattered atom positions')
        self.AtomEdit.Append(G2G.wxID_COLLECTATOMS,'Collect atoms','Collect selected atoms to specified unit cell location')
        self.AtomEdit.Append(G2G.wxID_RELOADDRAWATOMS,'Update draw atoms','Update atom drawing list')
        submenu = wx.Menu()
        self.AtomEdit.AppendSubMenu(submenu,'Reimport atoms','Reimport atoms from file; sequence must match')
        # setup a cascade menu for the formats that have been defined
        self.ReImportMenuId = {}  # points to readers for each menu entry
        for reader in self.parent.GetTopLevelParent().ImportPhaseReaderlist:
            item = submenu.Append(wx.ID_ANY,'reimport coordinates from '+reader.formatName+' file',reader.longFormatName)
            self.ReImportMenuId[item.GetId()] = reader
        item = submenu.Append(wx.ID_ANY,'guess format from file','Reimport coordinates, try to determine format from file')
        self.ReImportMenuId[item.GetId()] = None # try all readers
        self.AtomCompute.Append(G2G.wxID_ATOMSDISAGL,'Show Distances && Angles','Compute distances & angles for selected atoms')
        self.AtomCompute.Append(G2G.wxID_ATOMSPDISAGL,'Save Distances && Angles','Compute distances & angles for selected atoms')
        self.AtomCompute.Append(G2G.wxID_ATOMSBNDANGLHIST,'Histogram Bonds && Angles','Histogram bonds & angles for selected atoms')
        self.AtomCompute.Append(G2G.wxID_ATOMFRACSPLIT,'Apportion atom frac','2 atom type site fraction apportion')
        self.AtomCompute.Append(G2G.wxID_ATOMSDENSITY,'Density','Compute density for current phase')
        self.AtomCompute.ISOcalc = self.AtomCompute.Append(G2G.wxID_ISODISP,'ISODISTORT mode values',
            'Compute values of ISODISTORT modes from atom parameters')
        self.PostfillDataMenu()
        
        # Phase / Imcommensurate "waves" tab 
        G2G.Define_wxId('wxID_WAVEVARY',)
        self.WavesData = wx.MenuBar()
        self.PrefillDataMenu(self.WavesData)
        self.WavesData.Append(menu=wx.Menu(title=''),title='Select tab')
        self.WavesDataEdit = wx.Menu(title='')
        self.WavesData.Append(menu=self.WavesDataEdit, title='Edit Wave')
        self.WavesDataEdit.Append(G2G.wxID_WAVEVARY,'Global wave vary','Global setting of wave vary flags')
        self.PostfillDataMenu()
        
        #Phase / Dysnomia (Maximum Entropy Method) tab
        G2G.Define_wxId('wxID_LOADDYSNOMIA', 'wxID_SAVEDYSNOMIA', 'wxID_RUNDYSNOMIA', )       
        self.MEMMenu = wx.MenuBar()
        self.PrefillDataMenu(self.MEMMenu)
        self.MEMMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.MEMDataEdit = wx.Menu(title='')
        self.MEMMenu.Append(menu=self.MEMDataEdit, title='Operations')
        self.MEMDataEdit.Append(G2G.wxID_LOADDYSNOMIA,'Load from Dysnomia file','Load MEM info from Dysnomia file')
        self.MEMDataEdit.Append(G2G.wxID_SAVEDYSNOMIA,'Save Dysnomia file','Save MEM info in Dysnomia file')
        self.MEMDataEdit.Append(G2G.wxID_RUNDYSNOMIA,'Run Dysonmia','Run Dysnomia to make new Fobs map')
        self.PostfillDataMenu()
        
        #Phase / fullrmc & RMCprofile (Reverse Monte Carlo method) tab
        G2G.Define_wxId('wxID_SETUPRMC','wxID_RUNRMC','wxID_VIEWRMC','wxID_STOPRMC',
                            'wxID_ATOMSRMC', 'wxID_SUPERRMC')       
        self.FRMCMenu = wx.MenuBar()
        self.PrefillDataMenu(self.FRMCMenu)
        self.FRMCMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.FRMCDataEdit = wx.Menu(title='')
        self.FRMCMenu.Append(menu=self.FRMCDataEdit, title='Operations')
        self.FRMCDataEdit.Append(G2G.wxID_SETUPRMC,'Setup RMC','Setup new fullrmc or RMCprofile file')
        self.FRMCDataEdit.Append(G2G.wxID_RUNRMC,'Execute','Run fullrmc or RMCprofile file')
        #self.FRMCDataEdit.Append(G2G.wxID_STOPRMC,'Stop run','Stop fullrmc run')
        self.FRMCDataEdit.Append(G2G.wxID_VIEWRMC,'Plot','View fullrmc or RMCprofile results')
        self.FRMCDataEdit.Append(G2G.wxID_SUPERRMC,'Load Supercell','Load fullrmc results as a supercell')
        self.FRMCDataEdit.Append(G2G.wxID_ATOMSRMC,'Superimpose into cell','Load fullrmc results folded into original cell')
        self.PostfillDataMenu()
        
        # Phase/ ISODISTORT tab
        G2G.Define_wxId('wxID_ISODISTORT','wxID_ISODNEWPHASE','wxID_SHOWISO1','wxID_SHOWISOMODES','wxID_ISOPDFFIT')
        self.ISODData = wx.MenuBar()
        self.PrefillDataMenu(self.ISODData)
        self.ISODData.Append(menu=wx.Menu(title=''),title='Select tab')
        self.ISODDataEdit = wx.Menu(title='')
        self.ISODData.Append(menu=self.ISODDataEdit, title='Operations')
        self.ISODDataEdit.Append(G2G.wxID_ISODISTORT,'Run ISODISTORT','To find displacement modes')
        self.ISODDataEdit.Append(G2G.wxID_ISODNEWPHASE,'Make CIF file','From ISODISTORT selection')
        self.ISODDataEdit.Append(G2G.wxID_ISOPDFFIT,'Make PDFfit phase','From current ISODISTORT phase')
        self.ISODDataEdit.Append(G2G.wxID_SHOWISO1,'Show modes','And values From ISODISTORT')
        self.ISODDataEdit.Append(G2G.wxID_SHOWISOMODES,'Show relationships','For ISODISTORT')
        self.PostfillDataMenu()

        # Phase / Layer tab 
        G2G.Define_wxId('wxID_LOADDIFFAX', 'wxID_LAYERSIMULATE', 'wxID_SEQUENCESIMULATE', 'wxID_LAYERSFIT', 'wxID_COPYPHASE',)       
        self.LayerData = wx.MenuBar()
        self.PrefillDataMenu(self.LayerData)
        self.LayerData.Append(menu=wx.Menu(title=''),title='Select tab')
        self.LayerDataEdit = wx.Menu(title='')
        self.LayerData.Append(menu=self.LayerDataEdit, title='Operations')
        self.LayerDataEdit.Append(G2G.wxID_LOADDIFFAX,'Load from DIFFaX file','Load layer info from DIFFaX file')
        self.LayerDataEdit.Append(G2G.wxID_COPYPHASE,'Copy phase cell','Copy phase cell from another project')
        self.LayerDataEdit.Append(G2G.wxID_LAYERSIMULATE,'Simulate pattern','Simulate diffraction pattern from layer stacking')
        self.LayerDataEdit.Append(G2G.wxID_LAYERSFIT,'Fit pattern','Fit diffraction pattern with layer stacking model')
        self.LayerDataEdit.Append(G2G.wxID_SEQUENCESIMULATE,'Sequence simulations','Sequence simulation changing one parameter')
        self.PostfillDataMenu()
                 
        # Phase / Draw Options tab
        self.DataDrawOptions = wx.MenuBar()
        self.PrefillDataMenu(self.DataDrawOptions)
        self.DataDrawOptions.Append(menu=wx.Menu(title=''),title='Select tab')
        self.PostfillDataMenu()
        
        # Phase / Deformation tab
        G2G.Define_wxId('wxID_DEFORMSETSEL','wxID_DEFORMDISTSET')
        self.DeformationMenu = wx.MenuBar()
        self.PrefillDataMenu(self.DeformationMenu)
        self.DeformationMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.DeformationEdit = wx.Menu(title='')
        self.DeformationMenu.Append(menu=self.DeformationEdit, title='Edit Deformations')
        self.DeformationEdit.Append(G2G.wxID_DEFORMSETSEL,'Select atoms','Select atoms for deformation study')
        self.DeformationEdit.Append(G2G.wxID_DEFORMDISTSET,'Set bond parms','Set bond selection parameters')
        self.PostfillDataMenu()
        
        # Phase / Draw Atoms tab 
        G2G.Define_wxId('wxID_DRAWATOMSTYLE', 'wxID_DRAWATOMLABEL', 'wxID_DRAWATOMCOLOR', 'wxID_DRAWATOMRESETCOLOR',
            'wxID_DRAWVIEWPOINT', 'wxID_DRAWTRANSFORM', 'wxID_DRAWDELETE', 'wxID_DRAWFILLCELL',
            'wxID_DRAWADDEQUIV', 'wxID_DRAWFILLCOORD', 'wxID_DRAWDISAGLTOR', 'wxID_DRAWPLANE',
            'wxID_DRAWDISTVP', 'wxID_DRAWADDSPHERE', 'wxID_DRWAEDITRADII',
            'wxID_DRAWSETSEL', 'wxID_DRAWLOADSEL',            
            )
        G2G.Define_wxId('wxID_DRAWRESTRBOND', 'wxID_DRAWRESTRANGLE', 'wxID_DRAWRESTRPLANE', 'wxID_DRAWRESTRCHIRAL',)        
        self.DrawAtomsMenu = wx.MenuBar()
        self.PrefillDataMenu(self.DrawAtomsMenu)
        self.DrawAtomsMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.DrawAtomEdit = wx.Menu(title='')
        self.DrawAtomCompute = wx.Menu(title='')
        self.DrawAtomRestraint = wx.Menu(title='')
        self.DrawAtomRigidBody = wx.Menu(title='')
        self.DrawAtomsMenu.Append(menu=self.DrawAtomEdit, title='Edit Figure')
        self.DrawAtomsMenu.Append(menu=self.DrawAtomCompute,title='Compute')
        self.DrawAtomsMenu.Append(menu=self.DrawAtomRestraint, title='Restraints')
        self.DrawAtomsMenu.Append(menu=self.DrawAtomRigidBody, title='Rigid body')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWATOMSTYLE,'Atom style','Select atoms first')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWATOMLABEL,'Atom label','Select atoms first')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWATOMCOLOR,'Atom color','Select atoms first')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWATOMRESETCOLOR,'Reset atom colors','Resets all atom colors to defaults')
        self.DrawAtomEdit.Append(G2G.wxID_DRWAEDITRADII,'Edit atom radii','Edit drawing atom radii') # TODO: removed until it can be made to do something
        self.DrawAtomEdit.Append(G2G.wxID_DRAWVIEWPOINT,'View point','View point is 1st atom selected')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWSETSEL,'Select from list','Select atoms from a filtered listbox')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWADDEQUIV,'Add atoms','Add symmetry & cell equivalents to drawing set from selected atoms')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWADDSPHERE,'Add sphere of atoms','Add atoms within sphere of enclosure')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWTRANSFORM,'Transform draw atoms','Transform selected atoms by symmetry & cell translations')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWFILLCOORD,'Fill CN-sphere','Fill coordination sphere for selected atoms')            
        self.DrawAtomEdit.Append(G2G.wxID_DRAWFILLCELL,'Fill unit cell','Fill unit cell with selected atoms')
        G2G.Define_wxId('wxID_DRAWADDMOLECULE')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWADDMOLECULE,'Complete molecule','Cyclicly add atoms bonded to selected atoms')
        G2G.Define_wxId('wxID_DRAWVOIDMAP')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWVOIDMAP,'Create void map','Create a map of locations outside of any VDW radius')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWDELETE,'Delete atoms','Delete selected atoms from drawing set')
        G2G.Define_wxId('wxID_RELOADATOMS')
        self.DrawAtomEdit.Append(G2G.wxID_RELOADATOMS,'Update draw atoms','Update atom drawing list')
        self.DrawAtomEdit.Append(G2G.wxID_DRAWLOADSEL,'Load selected atoms','Copy selected atoms into draw atoms')

        self.DrawAtomCompute.Append(G2G.wxID_DRAWDISTVP,'View pt. dist.','Compute distance of selected atoms from view point')   
        self.DrawAtomCompute.Append(G2G.wxID_DRAWDISAGLTOR,'Dist. Ang. Tors.',
            'Compute distance, angle or torsion for 2-4 selected atoms')   
        self.DrawAtomCompute.Append(G2G.wxID_DRAWPLANE,'Best plane','Compute best plane for 4+ selected atoms')   
        self.DrawAtomRestraint.Append(G2G.wxID_DRAWRESTRBOND,'Add bond restraint','Add bond restraint for selected atoms (2)')
        self.DrawAtomRestraint.Append(G2G.wxID_DRAWRESTRANGLE,'Add angle restraint',
            'Add angle restraint for selected atoms (3: one end 1st)')
        self.DrawAtomRestraint.Append(G2G.wxID_DRAWRESTRPLANE,'Add plane restraint',
            'Add plane restraint for selected atoms (4+)')
        self.DrawAtomRestraint.Append(G2G.wxID_DRAWRESTRCHIRAL,'Add chiral restraint',
            'Add chiral restraint for selected atoms (4: center atom 1st)')
        self.DrawAtomRigidBody.Append(G2G.wxID_DRAWDEFINERB,'Define rigid body','Define rigid body with selected atoms')
        self.PostfillDataMenu()

        # Phase / MCSA tab
        G2G.Define_wxId('wxID_ADDMCSAATOM', 'wxID_ADDMCSARB', 'wxID_CLEARMCSARB', 'wxID_MOVEMCSA', 'wxID_MCSACLEARRESULTS',)        
        self.MCSAMenu = wx.MenuBar()
        self.PrefillDataMenu(self.MCSAMenu)
        self.MCSAMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.MCSAEdit = wx.Menu(title='')
        self.MCSAMenu.Append(menu=self.MCSAEdit, title='MC/SA')
        self.MCSAEdit.Append(G2G.wxID_ADDMCSAATOM,'Add atom','Add single atom to MC/SA model')
        self.MCSAEdit.Append(G2G.wxID_ADDMCSARB,'Add rigid body','Add rigid body to MC/SA model' )
        self.MCSAEdit.Append(G2G.wxID_CLEARMCSARB,'Clear rigid bodies','Clear all atoms & rigid bodies from MC/SA model' )
        self.MCSAEdit.Append(G2G.wxID_MOVEMCSA,'Move MC/SA solution','Move MC/SA solution to atom list' )
        self.MCSAEdit.Append(G2G.wxID_MCSACLEARRESULTS,'Clear results','Clear table of MC/SA results' )
        self.PostfillDataMenu()
            
        # Phase / Texture tab
        G2G.Define_wxId('wxID_CLEARTEXTURE', 'wxID_REFINETEXTURE',)        
        self.TextureMenu = wx.MenuBar()
        self.PrefillDataMenu(self.TextureMenu)
        self.TextureMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.TextureEdit = wx.Menu(title='')
        self.TextureMenu.Append(menu=self.TextureEdit, title='Texture')
        self.TextureEdit.Append(G2G.wxID_REFINETEXTURE,'Refine texture','Refine the texture coefficients from sequential results')
        self.PostfillDataMenu()
            
        # Phase / Pawley tab
        G2G.Define_wxId('wxID_PAWLEYLOAD', 'wxID_PAWLEYESTIMATE', 'wxID_PAWLEYUPDATE', 'wxID_PAWLEYSELALL', 
            'wxID_PAWLEYSELNONE','wxID_PAWLEYSELTOGGLE', 'wxID_PAWLEYSET',)
        self.PawleyMenu = wx.MenuBar()
        self.PrefillDataMenu(self.PawleyMenu)
        self.PawleyMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.PawleyEdit = wx.Menu(title='')
        self.PawleyMenu.Append(menu=self.PawleyEdit,title='Operations')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYSET,'Pawley settings','Change Pawley refinement settings')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYLOAD,'Pawley create','Initialize Pawley reflection list')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYESTIMATE,'Pawley estimate','Estimate initial Pawley intensities')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYUPDATE,'Pawley update','Update negative Pawley intensities with -0.5*Fobs and turn off refinement')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYSELALL,'Refine all','Refine Fsq of all reflections')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYSELNONE,'Refine none','No reflection Fsq refinement')
        self.PawleyEdit.Append(G2G.wxID_PAWLEYSELTOGGLE,'Toggle Selection','Toggle Selection flag for all reflections to opposite setting')
        self.PostfillDataMenu()
            
        # Phase / Map peaks tab
        G2G.Define_wxId('wxID_PEAKSMOVE', 'wxID_PEAKSCLEAR','wxID_PEAKSUNIQUE', 'wxID_PEAKSDELETE','wxID_PEAKSSAVE','wxID_PEAKSDA',
            'wxID_PEAKSDISTVP', 'wxID_PEAKSVIEWPT', 'wxID_FINDEQVPEAKS', 'wxID_SHOWBONDS','wxID_INVERTPEAKS','wxID_ROLLMAP')
        self.MapPeaksMenu = wx.MenuBar()
        self.PrefillDataMenu(self.MapPeaksMenu)
        self.MapPeaksMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.MapPeaksEdit = wx.Menu(title='')
        self.MapPeaksMenu.Append(menu=self.MapPeaksEdit, title='Map peaks')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSMOVE,'Move peaks','Move selected peaks to atom list')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSVIEWPT,'View point','View point is 1st peak selected')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSDISTVP,'View pt. dist.','Compute distance of selected peaks from view point')   
        self.MapPeaksEdit.Append(G2G.wxID_SHOWBONDS,'Hide bonds','Hide or show bonds between peak positions')   
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSDA,'Calc dist/ang','Calculate distance or angle for selection')
        self.MapPeaksEdit.Append(G2G.wxID_FINDEQVPEAKS,'Equivalent peaks','Find equivalent peaks')
        self.MapPeaksEdit.Append(G2G.wxID_INVERTPEAKS,'Invert peak positions','Inverts map & peak positions')
        self.MapPeaksEdit.Append(G2G.wxID_ROLLMAP,'Roll charge flip map','Roll charge flip map by specified steps')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSUNIQUE,'Unique peaks','Select unique set')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSSAVE,'Save peaks','Save peaks to csv file')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSDELETE,'Delete peaks','Delete selected peaks')
        self.MapPeaksEdit.Append(G2G.wxID_PEAKSCLEAR,'Clear peaks','Clear the map peak list')
        self.PostfillDataMenu()

        # Phase / Rigid bodies tab
        G2G.Define_wxId(
            'wxID_ASSIGNATMS2RB','wxID_GLOBALRESREFINE','wxID_RBREMOVEALL','wxID_AUTOFINDRESRB',
            'wxID_COPYRBPARMS','wxID_GLOBALTHERM',)
        self.RigidBodiesMenu = wx.MenuBar()
        self.PrefillDataMenu(self.RigidBodiesMenu)
        self.RigidBodiesMenu.Append(menu=wx.Menu(title=''),title='Select tab')
        self.RigidBodiesEdit = wx.Menu(title='')
        self.RigidBodiesMenu.Append(menu=self.RigidBodiesEdit, title='Edit Body')
        self.RigidBodiesEdit.Append(G2G.wxID_ASSIGNATMS2RB,'Locate && Insert Rigid Body',
            'Locate rigid body in structure mapping to existing atoms')
        self.RigidBodiesEdit.Append(G2G.wxID_AUTOFINDRESRB,'Auto find residues',
            'Auto find of residue RBs in macromolecule')
        self.RigidBodiesEdit.Append(G2G.wxID_COPYRBPARMS,'Copy rigid body parms',
            'Copy rigid body location & TLS parameters')
        self.RigidBodiesEdit.Append(G2G.wxID_GLOBALTHERM,'Global thermal motion',
            'Global setting of residue thermal motion models')
        self.RigidBodiesEdit.Append(G2G.wxID_GLOBALRESREFINE,'Global residue refine',
            'Global setting of residue RB refinement flags')
        self.RigidBodiesEdit.Append(G2G.wxID_RBREMOVEALL,'Remove all rigid bodies',
            'Remove all rigid body assignment for atoms')
        self.PostfillDataMenu()
    # end of GSAS-II menu definitions
    
####  Notebook Tree Item editor ##############################################
def UpdateNotebook(G2frame,data):
    '''Called when the data tree notebook entry is selected. Allows for
    editing of the text in that tree entry
    '''
    def OnNoteBook(event):
        event.Skip()
        data = text.GetValue().split('\n')
        G2frame.GPXtree.SetItemPyData(GetGPXtreeItemId(G2frame,G2frame.root,'Notebook'),data)
        if 'nt' not in os.name:
            text.AppendText('\n')
            
    G2frame.dataWindow.ClearData()
    bigSizer = wx.BoxSizer(wx.VERTICAL)
    topSizer = wx.BoxSizer(wx.HORIZONTAL)
    topSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Add notes on project here: '),0)
    topSizer.Add((250,-1))
    topSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex='Notebook'))
    bigSizer.Add(topSizer)
    text = wx.TextCtrl(G2frame.dataWindow,wx.ID_ANY,
            style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER | wx.TE_DONTWRAP)
    text.Bind(wx.EVT_TEXT_ENTER,OnNoteBook)
    text.Bind(wx.EVT_KILL_FOCUS,OnNoteBook)
    for line in data:
        text.AppendText(line+"\n")
    text.AppendText('Notebook entry @ '+time.ctime()+"\n")
    bigSizer.Add(text,1,wx.ALL|wx.EXPAND)
    bigSizer.Layout()
    bigSizer.FitInside(G2frame.dataWindow)
    G2frame.dataWindow.SetSizer(bigSizer)
    G2frame.dataWindow.SetDataSize()
    G2frame.SendSizeEvent()

####  Comments ###############################################################
def UpdateComments(G2frame,data):
    '''Place comments into the data window
    '''
    lines = ""
    for line in data:
        if 'phoenix' in wx.version() and hasattr(line,'decode'):
            lines += line.decode('latin-1').rstrip()+'\n'
        else:
            lines += line.rstrip()+'\n'
    try:
        text = wx.StaticText(G2frame.dataWindow,wx.ID_ANY,lines)
    except:
        text = wx.StaticText(G2frame.dataWindow,wx.ID_ANY,
                                 G2obj.StripUnicode(lines))
    G2frame.dataWindow.GetSizer().Add(text,1,wx.ALL|wx.EXPAND)

            
####  Controls Tree Item editor ##############################################
def UpdateControls(G2frame,data):
    '''Edit overall GSAS-II controls in main Controls data tree entry
    '''
    #patch
    if 'deriv type' not in data:
        data = {}
        data['deriv type'] = 'analytic Hessian'
        data['min dM/M'] = 0.001
        data['shift factor'] = 1.
        data['max cyc'] = 3        
        data['F**2'] = False
    if 'SVDtol' not in data:
        data['SVDtol'] = 1.e-6
    if 'shift factor' not in data:
        data['shift factor'] = 1.
    if 'max cyc' not in data:
        data['max cyc'] = 3
    if 'F**2' not in data:
        data['F**2'] = False
    if 'Author' not in data:
        data['Author'] = 'no name'
    if 'FreePrm1' not in data:
        data['FreePrm1'] = 'Sample humidity (%)'
    if 'FreePrm2' not in data:
        data['FreePrm2'] = 'Sample voltage (V)'
    if 'FreePrm3' not in data:
        data['FreePrm3'] = 'Applied load (MN)'
    if 'Copy2Next' not in data:
        data['Copy2Next'] = False
    if 'Reverse Seq' not in data:
        data['Reverse Seq'] = False
    if 'UsrReject' not in data:
        data['UsrReject'] = {'minF/sig':0.,'MinExt':0.01,'MaxDF/F':20.,'MaxD':500.,'MinD':0.05}
    if 'HatomFix' not in data:
        data['HatomFix'] = False
    if 'Marquardt' not in data:
        data['Marquardt'] = -3
    if 'newLeBail' not in data:
        data['newLeBail'] = False
    
    #end patch

    def SeqSizer():
        
        def OnSelectData(event):
            choices = GetGPXtreeDataNames(G2frame,['PWDR','HKLF',])
            phaseRIdList,histdict = G2frame.GetPhaseInfofromTree(Used=True)
            usedHistograms = []
            for k in histdict:
                usedHistograms += histdict[k]
            usedHistograms = list(set(usedHistograms))
            choices = [i for i in choices if i in usedHistograms]
            if len(choices) == 0:
                G2G.G2MessageBox(G2frame,'No histograms in use found for a sequential fit.','No Histograms')
                return
            sel = []
            try:
                if 'Seq Data' in data:
                    sel = [choices.index(item) for item in data['Seq Data']]
            except ValueError:  #data changed somehow - start fresh
                sel = []
            dlg = G2G.G2MultiChoiceDialog(G2frame,
                'Select datasets to include. Select no datasets to end sequential refinements.',
                'Sequential refinement selection',choices)
            dlg.SetSelections(sel)
            names = []
            if dlg.ShowModal() == wx.ID_OK:
                for sel in dlg.GetSelections():
                    names.append(choices[sel])
                data['Seq Data'] = names                
            dlg.Destroy()
            G2frame.SetTitleByGPX()
            if names:    # probably not needed (should be set previously)
                item = GetGPXtreeItemId(G2frame,G2frame.root,'Constraints')
                constraints = G2frame.GPXtree.GetItemPyData(item)
                constraints['_seqmode'] = constraints.get('_seqmode','auto-wildcard')
            
            wx.CallAfter(UpdateControls,G2frame,data)
            
        def OnReverse(event):
            data['Reverse Seq'] = reverseSel.GetValue()
            
        def OnCopySel(event):
            data['Copy2Next'] = copySel.GetValue()
            
        def OnClrSeq(event):
            sId = GetGPXtreeItemId(G2frame,G2frame.root,'Sequential results')
            if sId:
                dlg = wx.MessageDialog(G2frame,'Are you sure?','Delete sequential results table',wx.OK|wx.CANCEL)
                try:
                    if dlg.ShowModal() == wx.ID_OK:
                        G2frame.GPXtree.Delete(sId)
                finally:
                    dlg.Destroy()
                    
        seqSizer = wx.BoxSizer(wx.VERTICAL)
        dataSizer = wx.BoxSizer(wx.HORIZONTAL)
        SeqData = data.get('Seq Data',[])
        if not SeqData:
            dataSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Select datasets to switch to sequential refinement: '),0,WACV)
            selSeqData = wx.Button(G2frame.dataWindow,label='Select datasets')
        else:
            lbl = 'Sequential Refinement with '+str(len(SeqData))+' dataset(s) selected'
            dataSizer.Add(wx.StaticText(G2frame.dataWindow,label=lbl),0,WACV)
            selSeqData = wx.Button(G2frame.dataWindow,label=' Reselect datasets')            
        selSeqData.Bind(wx.EVT_BUTTON,OnSelectData)
        dataSizer.Add(selSeqData,0,WACV)
        seqSizer.Add(dataSizer)
        if SeqData:
            selSizer = wx.BoxSizer(wx.HORIZONTAL)
            reverseSel = wx.CheckBox(G2frame.dataWindow,-1,label=' Reverse order?')
            reverseSel.Bind(wx.EVT_CHECKBOX,OnReverse)
            reverseSel.SetValue(data['Reverse Seq'])
            selSizer.Add(reverseSel,0,WACV)
            copySel =  wx.CheckBox(G2frame.dataWindow,-1,label=' Copy results to next histogram?')
            copySel.Bind(wx.EVT_CHECKBOX,OnCopySel)
            copySel.SetValue(data['Copy2Next'])
            selSizer.Add(copySel,0,WACV)
            clrSeq = wx.Button(G2frame.dataWindow,label='Clear previous seq. results')
            clrSeq.Bind(wx.EVT_BUTTON,OnClrSeq)
            selSizer.Add(clrSeq,0,WACV)
            seqSizer.Add(selSizer,0)
        return seqSizer
        
        
    def LSSizer():        
        
        def OnDerivType(event):
            data['deriv type'] = derivSel.GetValue()
            derivSel.SetValue(data['deriv type'])
            wx.CallAfter(UpdateControls,G2frame,data)
            
        def OnMaxCycles(event):
            data['max cyc'] = int(maxCyc.GetValue())
            maxCyc.SetValue(str(data['max cyc']))
            
        def OnMarqLam(event):
            data['Marquardt'] = int(marqLam.GetValue())
            marqLam.SetValue(str(data['Marquardt']))
                        
        def OnFactor(event):
            event.Skip()
            try:
                value = min(max(float(Factr.GetValue()),0.00001),100.)
            except ValueError:
                value = 1.0
            data['shift factor'] = value
            Factr.SetValue('%.5f'%(value))
            
        def OnFsqRef(event):
            data['F**2'] = fsqRef.GetValue()
            
        LSSizer = wx.FlexGridSizer(cols=4,vgap=5,hgap=5)

        tmpSizer=wx.BoxSizer(wx.HORIZONTAL)
        tmpSizer.Add(wx.StaticText(G2frame.dataWindow,label='Refinement\ntype: '),0,WACV)
        tmpSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex='RefineType'))
        LSSizer.Add(tmpSizer,0,WACV)
        Choice=['analytic Jacobian','numeric','analytic Hessian','Hessian SVD']
        derivSel = wx.ComboBox(parent=G2frame.dataWindow,value=data['deriv type'],choices=Choice,
            style=wx.CB_READONLY|wx.CB_DROPDOWN)
        derivSel.SetValue(data['deriv type'])
        derivSel.Bind(wx.EVT_COMBOBOX, OnDerivType)
            
        LSSizer.Add(derivSel,0,WACV)
        LSSizer.Add(wx.StaticText(G2frame.dataWindow,label='Min delta-M/M: '),0,WACV)
        LSSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data,'min dM/M',nDig=(10,2,'g'),xmin=1.e-9,xmax=1.),0,WACV)
        if 'Hessian' in data['deriv type']:
            LSSizer.Add(wx.StaticText(G2frame.dataWindow,label='Max cycles: '),0,WACV)
            Choice = ['0','1','2','3','5','10','15','20']
            maxCyc = wx.ComboBox(parent=G2frame.dataWindow,value=str(data['max cyc']),choices=Choice,
                style=wx.CB_READONLY|wx.CB_DROPDOWN)
            maxCyc.Bind(wx.EVT_COMBOBOX, OnMaxCycles)
            LSSizer.Add(maxCyc,0,WACV)
            if 'SVD' not in data['deriv type']:
                LSSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Initial lambda = 10**'),0,WACV)
                MarqChoice = ['-3','-2','-1','0','1','2','3','4']
                marqLam = wx.ComboBox(parent=G2frame.dataWindow,value=str(data['Marquardt']),choices=MarqChoice,
                    style=wx.CB_READONLY|wx.CB_DROPDOWN)
                marqLam.Bind(wx.EVT_COMBOBOX,OnMarqLam)
                LSSizer.Add(marqLam,0,WACV)
            LSSizer.Add(wx.StaticText(G2frame.dataWindow,label='SVD zero\ntolerance:'),0,WACV)
            LSSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data,'SVDtol',nDig=(10,1,'g'),xmin=1.e-9,xmax=.01),0,WACV)
        else:
            LSSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Initial shift factor: '),0,WACV)
            Factr = G2G.ValidatedTxtCtrl(G2frame.dataWindow,data,'shift factor',nDig=(10,5),xmin=1.e-5,xmax=100.)
            LSSizer.Add(Factr,0,WACV)

        ShklSizer = None
        if G2frame.Sngl:
            ShklSizer = wx.FlexGridSizer(cols=4,vgap=5,hgap=5)
            userReject = data['UsrReject']
            usrRej = {'minF/sig':[' Min obs/sig (0-5): ',[0.,5.], ],'MinExt':[' Min extinct. (0-.9): ',[0.,.9],],
                'MaxDF/F':[' Max delt-F/sig (3-1000): ',[3.,1000.],],'MaxD':[' Max d-spacing (3-500): ',[3.,500.],],
                'MinD':[' Min d-spacing (0.1-2.0): ',[0.1,2.0],]}

            fsqRef = wx.CheckBox(G2frame.dataWindow,-1,label='Refine HKLF as F^2? ')
            fsqRef.SetValue(data['F**2'])
            fsqRef.Bind(wx.EVT_CHECKBOX,OnFsqRef)
            ShklSizer.Add(fsqRef,0,WACV)
            ShklSizer.Add((1,0),)
            for item in usrRej:
                ShklSizer.Add(wx.StaticText(G2frame.dataWindow,-1,label=usrRej[item][0]),0,WACV)
                usrrej = G2G.ValidatedTxtCtrl(G2frame.dataWindow,userReject,item,nDig=(10,2),
                    xmin=usrRej[item][1][0],xmax=usrRej[item][1][1])
                ShklSizer.Add(usrrej,0,WACV)
        return LSSizer,ShklSizer
        
    def AuthSizer():
        def OnAuthor(event):
            event.Skip()
            data['Author'] = auth.GetValue()

        Author = data['Author']
        authSizer = wx.BoxSizer(wx.HORIZONTAL)
        authSizer.Add(wx.StaticText(G2frame.dataWindow,label=' CIF Author (last, first):'),0,WACV)
        auth = wx.TextCtrl(G2frame.dataWindow,-1,value=Author,style=wx.TE_PROCESS_ENTER)
        auth.Bind(wx.EVT_TEXT_ENTER,OnAuthor)
        auth.Bind(wx.EVT_KILL_FOCUS,OnAuthor)
        authSizer.Add(auth,0,WACV)
        return authSizer

    def ClearFrozen(event):
        'Removes all frozen parameters by clearing the entire dict'
        Controls['parmFrozen'] = {}
        wx.CallAfter(UpdateControls,G2frame,data)
        
    # start of UpdateControls
    if 'SVD' in data['deriv type']:
        G2frame.GetStatusBar().SetStatusText('Hessian SVD not recommended for initial refinements; use analytic Hessian or Jacobian',1)
    else:
        G2frame.GetStatusBar().SetStatusText('',1)
    G2frame.dataWindow.ClearData()
    SetDataMenuBar(G2frame,G2frame.dataWindow.ControlsMenu)
    bigSizer = wx.BoxSizer(wx.HORIZONTAL)
    mainSizer = wx.BoxSizer(wx.VERTICAL)
    mainSizer.Add((5,5),0)
    subSizer = wx.BoxSizer(wx.HORIZONTAL)
    subSizer.Add((-1,-1),1,wx.EXPAND)
    subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Refinement Controls'),0,WACV)    
    subSizer.Add((-1,-1),1,wx.EXPAND)
    mainSizer.Add(subSizer,0,wx.EXPAND)
    mainSizer.Add((5,5),0)
    LSSizer,ShklSizer = LSSizer()
    mainSizer.Add(LSSizer)
    if ShklSizer:
        mainSizer.Add((5,15),0)
        G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
        subSizer = wx.BoxSizer(wx.HORIZONTAL)
        subSizer.Add((-1,-1),1,wx.EXPAND)
        subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Single Crystal Refinement Settings'),0,WACV)    
        subSizer.Add((-1,-1),1,wx.EXPAND)
        mainSizer.Add(subSizer,0,wx.EXPAND)
        mainSizer.Add(ShklSizer)
        
    mainSizer.Add((5,15),0)
    G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
    subSizer = wx.BoxSizer(wx.HORIZONTAL)
    subSizer.Add((-1,-1),1,wx.EXPAND)
    subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Sequential Settings'),0,WACV)    
    subSizer.Add((-1,-1),1,wx.EXPAND)
    mainSizer.Add(subSizer,0,wx.EXPAND)
    mainSizer.Add(SeqSizer())
    mainSizer.Add((5,15),0)
    G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
    subSizer = wx.BoxSizer(wx.HORIZONTAL)
    subSizer.Add((-1,-1),1,wx.EXPAND)
    subSizer.Add(wx.StaticText(G2frame.dataWindow,label='Global Settings'),0,WACV)    
    subSizer.Add((-1,-1),1,wx.EXPAND)
    mainSizer.Add(subSizer,0,wx.EXPAND)
    mainSizer.Add(AuthSizer())
    mainSizer.Add((5,5),0)
    Controls = data
    # count frozen variables (in appropriate place)
    for key in ('parmMinDict','parmMaxDict','parmFrozen'):
        if key not in Controls: Controls[key] = {}
    parmFrozen = Controls['parmFrozen']
    if G2frame.testSeqRefineMode():
        frozenList = set()
        for h in parmFrozen:
            if h == 'FrozenList': continue
            frozenList = frozenList.union(parmFrozen[h])
        count = len(frozenList)
    elif 'FrozenList' in parmFrozen:
        count = len(parmFrozen['FrozenList'])
    else:
        count = 0
    if count > 0:
        subSizer = wx.BoxSizer(wx.HORIZONTAL)
        subSizer.Add(wx.StaticText(G2frame.dataWindow,
            label='There are {} frozen variables (values refined outside limits)'.format(count)),0,WACV)
        subSizer.Add((5,-1))
        btn = wx.Button(G2frame.dataWindow, wx.ID_ANY,'Clear All Frozen')
        btn.Bind(wx.EVT_BUTTON,ClearFrozen)
        subSizer.Add(btn)
        mainSizer.Add(subSizer)
    bigSizer.Add(mainSizer)
        
    bigSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex='Controls'))
    bigSizer.Layout()
    bigSizer.FitInside(G2frame.dataWindow)
    G2frame.dataWindow.SetSizer(bigSizer)
    G2frame.dataWindow.SetDataSize()
    G2frame.SendSizeEvent()
    
####  Main PWDR panel ########################################################    
def UpdatePWHKPlot(G2frame,kind,item):
    '''Called when the histogram main tree entry is called. Displays the
    histogram weight factor, refinement statistics for the histogram
    and the range of data for a simulation.

    Also invokes a plot of the histogram.
    '''
    def onEditSimRange(event):
        'Edit simulation range'
        if 'TOF' in data[0].get('simType','CW'):
            inp = [
                min(data[1][0])/1000.,
                max(data[1][0])/1000.,
                None
                ]
            inp[2] = (np.log(inp[1]) - np.log(inp[0]))/(len(data[1][0])-1.)
            names = ('start TOF(ms)', 'end TOF(ms)', 'DT/T')
            dlg = G2G.ScrolledMultiEditor(
                G2frame,[inp] * len(inp), range(len(inp)), names,
                header='Edit simulation range',
                minvals=(0.5,1.0,0.0001),
                maxvals=(500.,500.,.01),
                )            
        else:
            inp = [
                min(data[1][0]),
                max(data[1][0]),
                None
                ]
            inp[2] = (inp[1] - inp[0])/(len(data[1][0])-1.)
            names = ('start angle', 'end angle', 'step size')
            dlg = G2G.ScrolledMultiEditor(
                G2frame,[inp] * len(inp), range(len(inp)), names,
                header='Edit simulation range',
                minvals=(0.001,0.001,0.0001),
                maxvals=(180.,180.,.1),
                )
        dlg.CenterOnParent()
        val = dlg.ShowModal()
        dlg.Destroy()
        if val != wx.ID_OK: return
        if inp[0] > inp[1]:
            end,start,step = inp
        else:                
            start,end,step = inp
        step = abs(step)
        if 'TOF' in data[0].get('simType','CW'):
            N = (np.log(end)-np.log(start))/step
            newdata = np.exp((np.arange(0,N))*step+np.log(start*1000.))
        else:
            N = int((end-start)/step)+1
            newdata = np.linspace(start,end,N,True)
            if len(newdata) < 2: return # too small a range - reject
        data[1] = [newdata,np.zeros_like(newdata),np.ones_like(newdata),
            np.zeros_like(newdata),np.zeros_like(newdata),np.zeros_like(newdata)]
        Tmin = newdata[0]
        Tmax = newdata[-1]
        G2frame.GPXtree.SetItemPyData(GetGPXtreeItemId(G2frame,item,'Limits'),
            [(Tmin,Tmax),[Tmin,Tmax]])
        wx.CallAfter(UpdatePWHKPlot,G2frame,kind,item) # redisplay data screen
        
    def OnPlot1DHKL(event):
        '''Plots a 1D stick diagram of reflection intensities'''
        refList = data[1]['RefList']
        G2plt.Plot1DSngl(G2frame,newPlot=True,hklRef=refList,Super=Super,Title=phaseName)

    def OnPlot3DHKL(event):
        '''Plots in 3D reciprocal space with green dots proportional to F^2, etc. from single histogram'''
        refList = data[1]['RefList']
        FoMax = np.max(refList.T[8+Super])
        Hmin = np.array([int(np.min(refList.T[0])),int(np.min(refList.T[1])),int(np.min(refList.T[2]))])
        Hmax = np.array([int(np.max(refList.T[0])),int(np.max(refList.T[1])),int(np.max(refList.T[2]))])
        Vpoint = np.array([int(np.mean(refList.T[0])),int(np.mean(refList.T[1])),int(np.mean(refList.T[2]))])
        controls = {'Type' : 'Fosq','Iscale' : False,'HKLmax' : Hmax,'HKLmin' : Hmin,'Zone':False,'viewKey':'L',
            'FoMax' : FoMax,'Scale' : 1.0,'Drawing':{'viewPoint':[Vpoint,[]],'default':Vpoint[:],
            'backColor':[0,0,0],'depthFog':False,'Zclip':10.0,'cameraPos':10.,'Zstep':0.05,'viewUp':[0,1,0],
            'Scale':1.0,'oldxy':[],'viewDir':[0,0,1]},'Super':Super,'SuperVec':SuperVec}
        G2plt.Plot3DSngl(G2frame,newPlot=True,Data=controls,hklRef=refList,Title=phaseName)
        
    def OnPlotAll3DHKL(event):
        '''Plots in 3D reciprocal space with green dots proportional to F^2, etc. from all SHKL histograms'''
        choices = GetGPXtreeDataNames(G2frame,['HKLF',])
        dlg = G2G.G2MultiChoiceDialog(G2frame, 'Select reflection sets to plot',
            'Use data',choices)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                refNames = [choices[i] for i in dlg.GetSelections()]
            else:
                return
        finally:
            dlg.Destroy()
        refList = np.zeros(0)
        for name in refNames:
            Id = GetGPXtreeItemId(G2frame,G2frame.root, name)
            reflData = G2frame.GPXtree.GetItemPyData(Id)[1]
            if len(refList):
                refList = np.concatenate((refList,reflData['RefList']))
            else:
                refList = reflData['RefList']
            
        FoMax = np.max(refList.T[8+Super])
        Hmin = np.array([int(np.min(refList.T[0])),int(np.min(refList.T[1])),int(np.min(refList.T[2]))])
        Hmax = np.array([int(np.max(refList.T[0])),int(np.max(refList.T[1])),int(np.max(refList.T[2]))])
        Vpoint = [int(np.mean(refList.T[0])),int(np.mean(refList.T[1])),int(np.mean(refList.T[2]))]
        controls = {'Type' : 'Fosq','Iscale' : False,'HKLmax' : Hmax,'HKLmin' : Hmin,'Zone':False,'viewKey':'L',
            'FoMax' : FoMax,'Scale' : 1.0,'Drawing':{'viewPoint':[Vpoint,[]],'default':Vpoint[:],
            'backColor':[0,0,0],'depthFog':False,'Zclip':10.0,'cameraPos':10.,'Zstep':0.05,'viewUp':[0,1,0],
            'Scale':1.0,'oldxy':[],'viewDir':[1,0,0]},'Super':Super,'SuperVec':SuperVec}
        G2plt.Plot3DSngl(G2frame,newPlot=True,Data=controls,hklRef=refList,Title=phaseName)
        
    def OnMergeHKL(event):
        '''Merge HKLF data sets to unique set according to Laue symmetry'''
        Name = G2frame.GPXtree.GetItemText(G2frame.PatternId)
        Inst = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,
            G2frame.PatternId,'Instrument Parameters'))
        CId = GetGPXtreeItemId(G2frame,G2frame.PatternId,'Comments')
        if CId:
            Comments = G2frame.GPXtree.GetItemPyData(CId)
        else:
            Comments = []
        refList = np.copy(data[1]['RefList'])
        Comments.append(' Merging %d reflections from %s'%(len(refList),Name))
        dlg = MergeDialog(G2frame,data)
        try:
            if dlg.ShowModal() == wx.ID_OK:
                Trans,Cent,Laue = dlg.GetSelection()
            else:
                return
        finally:
            dlg.Destroy()
        Super = data[1]['Super']
        isup = 0
        if Super:
            isup = 1
        refList,badRefs = G2lat.transposeHKLF(Trans,isup,refList)
        if len(badRefs):    #do I want to list badRefs?
            G2frame.ErrorDialog('Failed transformation','Matrix yields fractional hkl indices')
            return
        Comments.append(" Transformation M*H = H' applied; M=")
        Comments.append(str(Trans))
        refList = G2lat.LaueUnique(Laue,refList)
        dlg = wx.ProgressDialog('Build HKL dictonary','',len(refList)+1, 
            style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE)
        HKLdict = {}
        for ih,hkl in enumerate(refList):
            if str(hkl[:3+Super]) not in HKLdict:
                HKLdict[str(hkl[:3+Super])] = [hkl[:3+Super],[hkl[3+Super:],]]
            else:
                HKLdict[str(hkl[:3+Super])][1].append(hkl[3+Super:])
            dlg.Update(ih)
        dlg.Destroy()
        mergeRef = []
        dlg = wx.ProgressDialog('Processing merge','',len(HKLdict)+1, 
            style = wx.PD_ELAPSED_TIME|wx.PD_AUTO_HIDE)
        sumDf = 0.
        sumFo = 0.
        for ih,hkl in enumerate(HKLdict):
            HKL = HKLdict[hkl]
            newHKL = list(HKL[0])+list(HKL[1][0])
            if len(HKL[1]) > 1:
                fos = np.array(HKL[1])
                wFo = 1/fos[:,3]**2
                Fo = np.average(fos[:,2],weights=wFo)
                std = np.std(fos[:,2])
                sig = np.sqrt(np.mean(fos[:,3])**2+std**2)
                sumFo += np.sum(fos[:,2])
                sumDf += np.sum(np.abs(fos[:,2]-Fo))
                dlg.Update(ih)
                newHKL[5+Super] = Fo
                newHKL[6+Super] = sig
                newHKL[8+Super] = Fo
            if newHKL[5+Super] > 0.:
                mergeRef.append(list(newHKL)) 
        dlg.Destroy()
        if Super:
            mergeRef = G2mth.sortArray(G2mth.sortArray(G2mth.sortArray(G2mth.sortArray(mergeRef,3),2),1),0)
        else:
            mergeRef = G2mth.sortArray(G2mth.sortArray(G2mth.sortArray(mergeRef,2),1),0)
        mergeRef = np.array(mergeRef)
        if sumFo:
            mtext = ' merge R = %6.2f%s for %d reflections in %s'%(100.*sumDf/sumFo,'%',mergeRef.shape[0],Laue)
            print (mtext)
            Comments.append(mtext)
        else:
            print( 'nothing to merge for %s reflections'%(mergeRef.shape[0]))
        HKLFlist = []
        newName = Name+u' '+Laue
        if G2frame.GPXtree.GetCount():
            item, cookie = G2frame.GPXtree.GetFirstChild(G2frame.root)
            while item:
                name = G2frame.GPXtree.GetItemText(item)
                if name.startswith('HKLF ') and name not in HKLFlist:
                    HKLFlist.append(name)
                item, cookie = G2frame.GPXtree.GetNextChild(G2frame.root, cookie)
        newName = G2obj.MakeUniqueLabel(newName,HKLFlist)
        newData = copy.deepcopy(data)
        newData[0]['ranId'] = ran.randint(0,sys.maxsize)
        newData[1]['RefList'] = mergeRef
        newData[0]['Nobs'] = mergeRef.shape[0]
        newData[0]['wR'] = 0.0
        keys = list(newData[0].keys())
        for item in keys:
            if ':' in item:
                del newData[0][item]
        Id = G2frame.GPXtree.AppendItem(parent=G2frame.root,text=newName)
        G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Comments'),Comments)
        G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Instrument Parameters'),Inst)
        G2frame.GPXtree.SetItemPyData(G2frame.GPXtree.AppendItem(Id,text='Reflection List'),{})  #dummy entry for GUI use
        G2frame.GPXtree.SetItemPyData(Id,newData)
                   
    def OnErrorAnalysis(event):
        '''Plots an "Abrams" plot - sorted delta/sig across data set. 
        Should be straight line of slope 1 - never is'''
        G2plt.PlotDeltSig(G2frame,kind)
        
#    def OnCompression(event):
#        data[0] = int(comp.GetValue())
        
    def onCopyPlotCtrls(event):
        '''Respond to menu item to copy multiple sections from a histogram.
        Need this here to pass on the G2frame object. 
        '''
        G2pdG.CopyPlotCtrls(G2frame)

    def onCopySelectedItems(event):
        '''Respond to menu item to copy multiple sections from a histogram.
        Need this here to pass on the G2frame object. 
        '''
        G2pdG.CopySelectedHistItems(G2frame)

    def OnAddMag(event):
        'Respond to the request to create a magnification region'
        if not data[0]['Magnification']: data[0]['Magnification'] = [[None,1.0]]
        data[0]['Magnification'] += [[(data[1][0][0]+data[1][0][-1])/2,2.]]
        wx.CallAfter(UpdatePWHKPlot,G2frame,kind,G2frame.PatternId)
    def OnDelMag(event):
        'Respond to the request to delete a magnification region'
        del data[0]['Magnification'][event.EventObject.row]
        if len(data[0]['Magnification']) == 1: data[0]['Magnification'] = []
        wx.CallAfter(UpdatePWHKPlot,G2frame,kind,G2frame.PatternId)
    def OnEditMag(**args):
        'Update to show edits to mag factors in window and plot'
        wx.CallAfter(UpdatePWHKPlot,G2frame,kind,G2frame.PatternId)

    #### Start of UpdatePWHKPlot
    data = G2frame.GPXtree.GetItemPyData(item)
    if kind == 'PWDR':              # Compute a "data entropy" factor?
        Limits = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,item,'Limits'))
        iBeg = np.searchsorted(data[1][0],Limits[1][0])
        iFin = np.searchsorted(data[1][0],Limits[1][1])+1
        meanI = np.mean(data[1][1][iBeg:iFin])
        S = -1.0+np.sum(np.log(meanI**2/(data[1][1][iBeg:iFin]-meanI)**2))/(iFin-iBeg)
#patches
    if not data:
        return
    if 'wtFactor' not in data[0]:
        data[0] = {'wtFactor':1.0}
#    if kind == 'PWDR' and 'Compression' not in data[0]:
#        data[0]['Compression'] = 1
    if 'list' in str(type(data[1])) and kind == 'HKLF':
        RefData = {'RefList':[],'FF':[]}
        for ref in data[1]:
            RefData['RefList'].append(ref[:11]+[ref[13],])
            RefData['FF'].append(ref[14])
        data[1] = RefData
        G2frame.GPXtree.SetItemPyData(item,data)
#end patches
    if kind in ['PWDR','SASD','REFD']:
        SetDataMenuBar(G2frame,G2frame.dataWindow.PWDRMenu)
        G2frame.Bind(wx.EVT_MENU, OnErrorAnalysis, id=G2G.wxID_PWDANALYSIS)
        G2frame.Bind(wx.EVT_MENU, onCopySelectedItems, id=G2G.wxID_PWDCOPY)
        G2frame.Bind(wx.EVT_MENU, onCopyPlotCtrls, id=G2G.wxID_PLOTCTRLCOPY)
    elif kind in ['HKLF',]:
        SetDataMenuBar(G2frame,G2frame.dataWindow.HKLFMenu)
        G2frame.Bind(wx.EVT_MENU, OnErrorAnalysis, id=G2G.wxID_PWDANALYSIS)
        G2frame.Bind(wx.EVT_MENU, OnMergeHKL, id=G2G.wxID_MERGEHKL)
        G2frame.Bind(wx.EVT_MENU, OnPlot1DHKL, id=G2G.wxID_1DHKLSTICKPLOT)
        G2frame.Bind(wx.EVT_MENU, OnPlot3DHKL, id=G2G.wxID_PWD3DHKLPLOT)
        G2frame.Bind(wx.EVT_MENU, OnPlotAll3DHKL, id=G2G.wxID_3DALLHKLPLOT)
    
    if G2frame.dataWindow:
        G2frame.dataWindow.ClearData()
    mainSizer = wx.BoxSizer(wx.VERTICAL)
    mainSizer.Add((5,5),)
    wtSizer = wx.BoxSizer(wx.HORIZONTAL)
    wtSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Weight factor: '),0,WACV)
    wtSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'wtFactor',nDig=(10,3),xmin=1.e-9),0,WACV)
#    if kind == 'PWDR':         #possible future compression feature; NB above patch as well
#        wtSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Compression factor: '),0,WACV)
#        choice = ['1','2','3','4','5','6']
#        comp = wx.ComboBox(parent=G2frame.dataWindow,choices=choice,
#            style=wx.CB_READONLY|wx.CB_DROPDOWN)
#        comp.SetValue(str(data[0]['Compression']))
#        comp.Bind(wx.EVT_COMBOBOX, OnCompression)
#        wtSizer.Add(comp,0,WACV)

    if kind == 'PWDR':
        wtSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Data "Surprise" factor: %.3f'%S))
    wtSizer.Add((-1,-1),1,wx.EXPAND)
    wtSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey))
    mainSizer.Add(wtSizer,0,wx.EXPAND)
    wtSizer = wx.BoxSizer(wx.HORIZONTAL)
    wtSizer.Add(wx.StaticText(G2frame.dataWindow,-1,' Histogram label: '),0,WACV)
    if 'histTitle' not in data[0]: data[0]['histTitle'] = ''
    wtSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data[0],'histTitle',typeHint=str,
        notBlank=False,size=(300,-1)),1,WACV)
    mainSizer.Add(wtSizer,0)
    if data[0].get('Dummy',False):
        simSizer = wx.BoxSizer(wx.HORIZONTAL)
        Tmin = min(data[1][0])
        Tmax = max(data[1][0])
        num = len(data[1][0])
        if 'TOF' in data[0].get('simType','CW'):
            step = (np.log(Tmax) - np.log(Tmin))/(num-1.)
            t = u'\u00b5s'
            lbl =  u'Simulation range: {:.2f} to {:.2f} {:s} with {:.4f} resolution ({:d} points)'
        else:
            step = (Tmax - Tmin)/(num-1)
            t = u'2\u03b8' # 2theta
            lbl =  u'Simulation range: {:.2f} to {:.2f} {:s} with {:.4f} steps ({:d} points)'
        lbl += u'\n(Edit range resets observed intensities).'
        lbl = lbl.format(Tmin,Tmax,t,step,num)
        simSizer.Add(wx.StaticText(G2frame.dataWindow,wx.ID_ANY,lbl),0,WACV)
        but = wx.Button(G2frame.dataWindow,wx.ID_ANY,"Edit range")
        but.Bind(wx.EVT_BUTTON,onEditSimRange)
        mainSizer.Add(simSizer)
        mainSizer.Add(but,0)
    if 'Nobs' in data[0]:
        Rmsg = f" Data residual wR: {data[0]['wR']:.3f}% on {data[0]['Nobs']} observations"
        covdata = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,G2frame.root,'Covariance'))
        if 'Rvals' in covdata:
            Rvals = covdata['Rvals']
            if 'chisq' in Rvals and 'sumwYo' in data[0]:
                # compute Chi**2 contribution from Rwp
                chisq = (data[0]['wR']/100)**2 * data[0]['sumwYo']
                frac = f"{100 * chisq / Rvals['chisq']:.1f}"
                Rmsg += f". Contributes {frac}% to Chi**2"
        mainSizer.Add(wx.StaticText(G2frame.dataWindow,wx.ID_ANY,Rmsg))
        if kind == 'PWDR':
            try:    #old gpx file
                DBW = ma.getdata(data[0]['Durbin-Watson'])
            except KeyError:
                DBW = 1.0
            mainSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Durbin-Watson statistic: %.3f'%DBW))
        for value in data[0]:
            if 'Nref' in value:
                pfx = value.split('Nref')[0]
                name = data[0].get(pfx.split(':')[0]+'::Name','?')
                if 'SS' in value:
                    mainSizer.Add((5,5),)
                    mainSizer.Add(wx.StaticText(G2frame.dataWindow,-1,u' For incommensurate phase '+name+u':'))
                    for m,(Rf2,Rf,Nobs) in enumerate(zip(data[0][pfx+'Rf^2'],data[0][pfx+'Rf'],data[0][value])):
                        mainSizer.Add(wx.StaticText(G2frame.dataWindow,-1,
                            u' m = +/- %d: RF\u00b2: %.3f%%, RF: %.3f%% on %d reflections  '%(m,Rf2,Rf,Nobs)))
                else:
                    mainSizer.Add((5,5),)
                    mainSizer.Add(wx.StaticText(G2frame.dataWindow,-1,u' For phase '+name+u':'))
                    mainSizer.Add(wx.StaticText(G2frame.dataWindow,-1,
                        u' Unweighted phase residuals RF\u00b2: %.3f%%, RF: %.3f%% on %d reflections  '% \
                        (data[0][pfx+'Rf^2'],data[0][pfx+'Rf'],data[0][value])))

    # Draw edit box for Magnification factors/positions
    if kind == 'PWDR':
        if 'Magnification' not in data[0]:
            data[0]['Magnification'] = []
        mainSizer.Add((-1,10))
        lenmag = len(data[0]['Magnification'])
        data[0]['Magnification'][1:] = sorted(data[0]['Magnification'][1:],key=lambda x: x[0])
        if lenmag > 1:
            panel = wx.StaticBox(G2frame.dataWindow, wx.ID_ANY, 'Magnification regions',style=wx.ALIGN_CENTER)
            mSizer = wx.StaticBoxSizer(panel,wx.VERTICAL)
            magSizer = wx.FlexGridSizer(lenmag+1,3,0,0)
            Name = G2frame.GPXtree.GetItemText(G2frame.PatternId)
            Inst = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,
                G2frame.PatternId,'Instrument Parameters'))
            if 'C' in Inst[0]['Type'][0]:
                magSizer.Add(wx.StaticText(panel,-1,'2Theta'),1,wx.ALIGN_CENTER,1)
            else:
                magSizer.Add(wx.StaticText(panel,-1,'TOF'),1,wx.ALIGN_CENTER,1)
            magSizer.Add(wx.StaticText(panel,-1,'Magnification\nfactor',
                style=wx.ALIGN_CENTRE_HORIZONTAL),1,wx.ALIGN_CENTER,1)
            magSizer.Add(wx.StaticText(panel,-1,'Delete\nbutton',
                style=wx.ALIGN_CENTRE_HORIZONTAL),1,wx.ALIGN_CENTER,1)
            magSizer.Add(wx.StaticText(panel,-1,'(start)'),1,wx.ALIGN_CENTER,1)
            edit = G2G.ValidatedTxtCtrl(panel,data[0]['Magnification'][0],1,
                nDig=(7,2),xmin=0.01,xmax=1000.,OnLeave=OnEditMag,size=(65,-1))
            magSizer.Add(edit,1,wx.ALIGN_CENTER,5)
            magSizer.Add((1,1))
            for i in range(1,lenmag):
                edit = G2G.ValidatedTxtCtrl(panel,data[0]['Magnification'][i],0,nDig=(10,3), 
                    xmin=data[1][0][0],xmax=data[1][0][-1],OnLeave=OnEditMag)
                magSizer.Add(edit)
                edit = G2G.ValidatedTxtCtrl(panel,data[0]['Magnification'][i],1,
                    nDig=(7,2),xmin=0.01,xmax=1000.,OnLeave=OnEditMag,size=(65,-1))
                magSizer.Add(edit,1,wx.ALIGN_CENTER,5)
                delmag = wx.Button(panel,wx.ID_ANY,label='Del',size=(40,-1))
                delmag.Bind(wx.EVT_BUTTON,OnDelMag)
                delmag.row = i
                magSizer.Add(delmag,1,wx.ALIGN_CENTER,5)
            mSizer.Add(magSizer)
        else:
            panel = G2frame.dataWindow
            mSizer = wx.BoxSizer(wx.VERTICAL)
        addmag = wx.Button(panel,wx.ID_ANY,label='Add a magnification region')
        addmag.Bind(wx.EVT_BUTTON,OnAddMag)
        mSizer.Add(addmag,1,wx.ALIGN_CENTER,1)
        mainSizer.Add(mSizer)
        
    G2frame.dataWindow.SetSizer(mainSizer)
    
    G2frame.GPXtree.SetItemPyData(item,data)
    G2frame.PatternId = item
    if kind in ['PWDR','SASD','REFD',]:
        NewPlot = True
        if 'Contour' in dir(G2frame) and G2frame.Contour:
            pass
        elif 'xylim' in dir(G2frame):
            NewPlot = False
        G2plt.PlotPatterns(G2frame,plotType=kind,newPlot=NewPlot)
    elif kind == 'HKLF':
        Name = G2frame.GPXtree.GetItemText(item)
        phaseName = G2pdG.IsHistogramInAnyPhase(G2frame,Name)
        if phaseName:
            pId = GetGPXtreeItemId(G2frame,G2frame.root,'Phases')
            phaseId =  GetGPXtreeItemId(G2frame,pId,phaseName)
            General = G2frame.GPXtree.GetItemPyData(phaseId)['General']
            Super = General.get('Super',0)
            SuperVec = General.get('SuperVec',[])
        else:
            Super = 0
            SuperVec = []       
        refList = data[1]['RefList']
        FoMax = np.max(refList.T[5+data[1].get('Super',0)])
        page = G2frame.G2plotNB.nb.GetSelection()
        tab = ''
        if page >= 0:
            tab = G2frame.G2plotNB.nb.GetPageText(page)
        if '3D' in tab:
            Page = G2frame.G2plotNB.nb.GetPage(page)
            controls = Page.controls
            G2plt.Plot3DSngl(G2frame,newPlot=False,Data=controls,hklRef=refList,Title=phaseName)
        else:
            controls = {'Type' : 'Fo','ifFc' : True,     
                'HKLmax' : [int(np.max(refList.T[0])),int(np.max(refList.T[1])),int(np.max(refList.T[2]))],
                'HKLmin' : [int(np.min(refList.T[0])),int(np.min(refList.T[1])),int(np.min(refList.T[2]))],
                'FoMax' : FoMax,'Zone' : '001','Layer' : 0,'Scale' : 1.0,'Super':Super,'SuperVec':SuperVec}
            G2plt.PlotSngl(G2frame,newPlot=True,Data=controls,hklRef=refList)
    G2frame.dataWindow.SetDataSize()
    # make sure parent histogram item is displayed
    if item != G2frame.GPXtree.GetSelection():
        wx.CallAfter(G2frame.GPXtree.SelectItem,item)
                 
#####  Data (GPX) tree routines ###############################################       
def GetGPXtreeDataNames(G2frame,dataTypes):
    '''Finds all items in tree that match a 4 character prefix
    
    :param wx.Frame G2frame: Data tree frame object
    :param list dataTypes: Contains one or more data tree item types to be matched
      such as ['IMG '] or ['PWDR','HKLF']
    :returns: a list of tree item names for the matching items  
    '''
    names = []
    item, cookie = G2frame.GPXtree.GetFirstChild(G2frame.root)        
    while item:
        name = G2frame.GPXtree.GetItemText(item)
        if name[:4] in dataTypes:
            names.append(name)
        item, cookie = G2frame.GPXtree.GetNextChild(G2frame.root, cookie)
    return names
                          
def GetGPXtreeItemId(G2frame, parentId, itemText):
    '''Find the tree item that matches the text in itemText starting with parentId

    :param wx.Frame G2frame: Data tree frame object
    :param wx.TreeItemId parentId: tree item to start search with
    :param str itemText: text for tree item
    '''
    try:
        item, cookie = G2frame.GPXtree.GetFirstChild(parentId)
        while item:
            if G2frame.GPXtree.GetItemText(item) == itemText:
                return item
            item, cookie = G2frame.GPXtree.GetNextChild(parentId, cookie)
        return 0
    except:         #trap C++ error?
        return 0

def SelectDataTreeItem(G2frame,item,oldFocus=None):
    '''Called from :meth:`GSASIIdataGUI.GSASII.OnDataTreeSelChanged` when a item is selected on the tree.
    Also called from GSASII.OnGPXtreeEndDrag, OnAddPhase -- might be better to select item, triggering
    the the bind to SelectDataTreeItem

    Also Called in GSASIIphsGUI.UpdatePhaseData by OnTransform callback. 
    '''
    def OnShowShift(event):
        if 'Lastshft' not in data:
            return
        if data['Lastshft'] is None:
            return
        shftesd = data['Lastshft']/data['sig']
        
        G2plt.PlotNamedFloatHBarGraph(G2frame,shftesd,data['varyList'],Xlabel='Total shift/esd',
            Ylabel='Variables',Title='Total shift/esd',PlotName='Shift/esd')
    
    if G2frame.PickIdText == G2frame.GetTreeItemsList(item): # don't redo the current data tree item 
        if GSASIIpath.GetConfigValue('debug'): print('Skipping SelectDataTreeItem as G2frame.PickIdText unchanged')
        return

    # save or finish processing of outstanding events
    for grid in G2frame.dataWindow.currentGrids:  # complete any open wx.Grid edits
        #if GSASIIpath.GetConfigValue('debug'): print 'Testing grid edit in',grid
        try: 
            if grid.IsCellEditControlEnabled(): # complete any grid edits in progress
                if GSASIIpath.GetConfigValue('debug'): print ('Completing grid edit in%s'%str(grid))
                grid.SaveEditControlValue()
                # not sure if the next two things do anything
                grid.HideCellEditControl()
                grid.DisableCellEditControl()
        except:
            pass
    if G2frame.dataWindow.GetLabel() == 'Comments': # save any recently entered comments 
        try:
            data = [G2frame.dataDisplay.GetValue()]
            G2frame.dataDisplay.ClearData() 
            Id = GetGPXtreeItemId(G2frame,G2frame.root, 'Comments')
            if Id: G2frame.GPXtree.SetItemPyData(Id,data)
        except:     #clumsy but avoids dead window problem when opening another project
            pass
    elif G2frame.dataWindow.GetLabel() == 'Notebook': # save any recent notebook entries
        try:
            data = [G2frame.dataDisplay.GetValue()]
            G2frame.dataDisplay.ClearData() 
            Id = GetGPXtreeItemId(G2frame,G2frame.root, 'Notebook')
            if Id: G2frame.GPXtree.SetItemPyData(Id,data)
        except:     #clumsy but avoids dead window problem when opening another project
            pass
#    elif 'Phase Data for' in G2frame.dataWindow.GetLabel():
#        if G2frame.dataDisplay: 
#            oldPage = G2frame.dataDisplay.GetSelection()
        
    SetDataMenuBar(G2frame)
    G2frame.SetTitleByGPX()
    G2frame.PickId = item
    G2frame.PickIdText = None
    parentID = G2frame.root
    if item == G2frame.root:
        G2frame.dataWindow.ClearData()
        G2frame.helpKey = "Data tree"
        G2frame.dataWindow.GetSizer().Add(
            wx.StaticText(G2frame.dataWindow, wx.ID_ANY,
                    'Select an item from the tree to see/edit parameters'))
        G2frame.dataWindow.SetDataSize()
        return
    else:
        # Set up the help entry for the current selected tree item
        try:    #don't know why we get here when opening new project
            parentID = G2frame.GPXtree.GetItemParent(item)
            # save name of calling tree item for help. N.B. may want to override this later
            prfx = G2frame.GPXtree.GetItemText(item)
            if prfx:
                prfx = prfx.split()[0].upper()
            else:   #just deleted item - escape!!
                return
            prfx1 = G2frame.GPXtree.GetItemText(parentID).split()[0]
            if prfx in ('IMG','PKS','PWDR','SASD','HKLF','PDF','REFD',):
                G2frame.dataWindow.helpKey = prfx
            elif prfx1 == 'Phases':
                G2frame.dataWindow.helpKey = 'Phases'
            elif prfx1 in ('IMG','PKS','PWDR','SASD','HKLF','PDF','REFD',):
                suffix = G2frame.GPXtree.GetItemText(item)
                suffix1 = suffix.split()[0]
                if '(Q)' in suffix1 or '(R)' in suffix1: suffix = suffix1
                G2frame.dataWindow.helpKey = prfx1 + '_' + suffix
            else:
                G2frame.dataWindow.helpKey = G2frame.GPXtree.GetItemText(item) # save name of calling tree item for help
        except IndexError:
            G2frame.dataWindow.helpKey = ''
            if GSASIIpath.GetConfigValue('debug'):
                print ('bug: why here? prfx=%s prfx1=%s'%(prfx,prfx1))
                G2obj.HowDidIgetHere()
        
    # clear out the old panel contents
    if G2frame.dataWindow:
        G2frame.dataWindow.ClearData() 
    # process first-level entries in tree
    if G2frame.GPXtree.GetItemParent(item) == G2frame.root:
        G2frame.PatternId = 0
        if G2frame.GPXtree.GetItemText(item) == 'Notebook':
            SetDataMenuBar(G2frame,G2frame.dataWindow.DataNotebookMenu)
            data = G2frame.GPXtree.GetItemPyData(item)
            UpdateNotebook(G2frame,data)
        elif G2frame.GPXtree.GetItemText(item) == 'Controls':
            data = G2frame.GPXtree.GetItemPyData(item)
            if not data:           #fill in defaults
                data = copy.copy(G2obj.DefaultControls)    #least squares controls
                G2frame.GPXtree.SetItemPyData(item,data)                             
            for i in G2frame.Refine: i.Enable(True)
            UpdateControls(G2frame,data)
        elif G2frame.GPXtree.GetItemText(item).startswith('Sequential '):
            G2frame.dataWindow.helpKey = 'Sequential'  # for now all sequential refinements are documented in one place
            data = G2frame.GPXtree.GetItemPyData(item)
            G2seq.UpdateSeqResults(G2frame,data)
        elif G2frame.GPXtree.GetItemText(item) == 'Covariance':
            data = G2frame.GPXtree.GetItemPyData(item)
            text = ''
            mainSizer = wx.BoxSizer(wx.HORIZONTAL)
            subSizer = wx.BoxSizer(wx.VERTICAL)
            if 'Rvals' in data:
                lbl = 'Refinement results'
            else:
                lbl = 'No refinement results' + 50*' '
            subSizer.Add(wx.StaticText(G2frame.dataWindow,label=lbl))
            if 'Rvals' in data:
                Nvars = len(data['varyList'])
                Rvals = data['Rvals']
                text = ('\nTotal residuals after last refinement:                                       \n'+
                        '\twR = {:.3f}\n\tchi**2 = {:.1f}\n\tGOF = {:.2f}').format(
                        Rvals['Rwp'],Rvals['chisq'],Rvals['GOF'])
                text += '\n\tNobs = {}\n\tNvals = {}\n\tSVD zeros = {}'.format(
                    Rvals['Nobs'],Nvars,Rvals.get('SVD0',0.))
                if Rvals.get('Max shft/sig') is not None:
                    text += '\n\tmax shift/esd = {:.3f} (over all cycles)'.format(Rvals['Max shft/sig'])
                if 'lamMax' in Rvals:
                    text += '\n\tlog10 MaxLambda = {:.1f}'.format(np.log10(Rvals['lamMax']))
                if '2' not in platform.python_version_tuple()[0]: # greek OK in Py2?
                    text += '\n\tReduced χ**2 = {:.2f}'.format(Rvals['GOF']**2)
                subSizer.Add(wx.StaticText(G2frame.dataWindow,wx.ID_ANY,text))
                if Rvals.get('RestraintSum',0) > 0:
                    chisq_data = (Rvals['chisq']-Rvals['RestraintSum'])/(Rvals['Nobs']-Rvals['Nvars'])
                    lbl = '\nData-only residuals (without restraints)'
                    lbl += f'\n\tGOF = {np.sqrt(chisq_data):.2f}'
                    lbl += f'\n\tReduced χ**2 = {chisq_data:.2f}'
                    subSizer.Add(wx.StaticText(G2frame.dataWindow,label=lbl))
                if 'Lastshft' in data and not data['Lastshft'] is None:
                    showShift = wx.Button(G2frame.dataWindow,label='Show shift/esd plot')
                    showShift.Bind(wx.EVT_BUTTON,OnShowShift)
                    subSizer.Add((-1,10))
                    subSizer.Add(showShift)
            mainSizer.Add(subSizer)
            mainSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex='Covariance'))
            G2frame.dataWindow.GetSizer().Add(mainSizer)
            G2plt.PlotCovariance(G2frame,data)
            #try:
            # if True:
            #     import imp
            #     import phfrac
            #     imp.reload(phfrac)
            #     Histograms,Phases = G2frame.GetUsedHistogramsAndPhasesfromTree()
            #     for histo in Histograms:
            #         hId = Histograms[histo]['hId']
            #         #phfrac.massFracs(data,Phases,histo,hId)
            #         vDict,sDict = phfrac.calcMassFracs(
            #             data['varyList'],data['covMatrix'],Phases,histo,hId)
            #         for key in vDict:
            #             print(key,vDict[key],sDict[key])
            #except:
            #    pass
        elif G2frame.GPXtree.GetItemText(item) == 'Constraints':
            data = G2frame.GPXtree.GetItemPyData(item)
            #import imp
            #imp.reload(G2cnstG)  # for testing changes to GSASIIconstrGUI
            G2cnstG.UpdateConstraints(G2frame,data)
        elif G2frame.GPXtree.GetItemText(item) == 'Rigid bodies':
            data = G2frame.GPXtree.GetItemPyData(item)
            # import imp
            # imp.reload(G2cnstG)  # for testing changes to GSASIIconstrGUI
            # print('debug: reloaded',G2cnstG)
            G2cnstG.UpdateRigidBodies(G2frame,data)
        elif G2frame.GPXtree.GetItemText(item).startswith('IMG '):
            G2frame.Image = item
            data = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(
                G2frame,item,'Image Controls'))
            G2imG.UpdateImageData(G2frame,data)
            G2plt.PlotImage(G2frame,newPlot=True)
        elif G2frame.GPXtree.GetItemText(item).startswith('PKS '):
            G2frame.PatternId = item
            G2plt.PlotPowderLines(G2frame)
        elif G2frame.GPXtree.GetItemText(item).startswith('PWDR '):
            G2frame.PatternId = item
            #for i in G2frame.ExportPattern: i.Enable(True)
            if G2frame.EnablePlot:
                UpdatePWHKPlot(G2frame,'PWDR',item)
        elif G2frame.GPXtree.GetItemText(item).startswith('SASD '):
            G2frame.PatternId = item
            #for i in G2frame.ExportPattern: i.Enable(True)
            if G2frame.EnablePlot:
                UpdatePWHKPlot(G2frame,'SASD',item)
        elif G2frame.GPXtree.GetItemText(item).startswith('REFD '):
            G2frame.PatternId = item
            #for i in G2frame.ExportPattern: i.Enable(True)
            if G2frame.EnablePlot:
                UpdatePWHKPlot(G2frame,'REFD',item)
        elif G2frame.GPXtree.GetItemText(item).startswith('HKLF '):
            G2frame.Sngl = True
            UpdatePWHKPlot(G2frame,'HKLF',item)
        elif G2frame.GPXtree.GetItemText(item).startswith('PDF '):
            G2frame.PatternId = item
            for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py)
            data = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,item,'PDF Controls'))
            G2pdG.UpdatePDFGrid(G2frame,data)
            if len(data['G(R)']):
                G2plt.PlotISFG(G2frame,data,plotType='G(R)')
        elif G2frame.GPXtree.GetItemText(item) == 'Phases':
            if len(G2frame.GetPhaseNames()) == 1: # if there is only one phase, select it
                item, cookie = G2frame.GPXtree.GetFirstChild(item)
                data = G2frame.GPXtree.GetItemPyData(item)
                G2phG.UpdatePhaseData(G2frame,item,data)
                wx.CallAfter(G2frame.GPXtree.SelectItem,item)
            else:
                G2frame.dataWindow.GetSizer().Add(wx.StaticText(G2frame.dataWindow,
                    wx.ID_ANY,'Select one phase to see its parameters'))
        elif G2frame.GPXtree.GetItemText(item) == 'Cluster Analysis':
            data = G2frame.GPXtree.GetItemPyData(item)
            G2frame.dataWindow.helpKey = 'Cluster Analysis'
            G2seq.UpdateClusterAnalysis(G2frame,data)
        elif G2frame.GPXtree.GetItemText(item) == 'Restraints':
            data = G2frame.GPXtree.GetItemPyData(item)
#patch - put phases in restraint tree
            names = G2frame.GetPhaseNames()
            for name in names:
                if not GetGPXtreeItemId(G2frame,item,name):
                    G2frame.GPXtree.AppendItem(parent=item,text=name)
                if name not in data:
                    data[name] = {}
#end patch
            if len(G2frame.GetPhaseNames()) == 1: # why force choice of a phase if there is only one?
                item, cookie = G2frame.GPXtree.GetFirstChild(item)
                phaseName = G2frame.GPXtree.GetItemText(item)
                if phaseName not in data:
                    data[phaseName] = {}
                G2restG.UpdateRestraints(G2frame,data,phaseName)
            else:
                G2frame.GPXtree.Expand(item)
                G2frame.dataWindow.GetSizer().Add(
                    wx.StaticText(G2frame.dataWindow,wx.ID_ANY,'Select one phase to see its restraints'))
        elif G2frame.GPXtree.GetItemText(item).startswith('Hist/Phase'):
            #import imp
            #imp.reload(G2ddG)
            G2ddG.MakeHistPhaseWin(G2frame)
        elif GSASIIpath.GetConfigValue('debug'):
            print('Unknown tree item',G2frame.GPXtree.GetItemText(item))
    ############################################################################
    # process second-level entries in tree            
    elif G2frame.GPXtree.GetItemText(item) == 'PDF Peaks':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        peaks = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,G2frame.PatternId,'PDF Peaks'))
        data = G2frame.GPXtree.GetItemPyData(GetGPXtreeItemId(G2frame,G2frame.PatternId,'PDF Controls'))
        G2pdG.UpdatePDFPeaks(G2frame,peaks,data)
        if len(data['G(R)']):
            G2plt.PlotISFG(G2frame,data,plotType='G(R)',newPlot=True,peaks=peaks)            
    elif G2frame.GPXtree.GetItemText(item) == 'PDF Controls':
        for i in G2frame.ExportPDF: i.Enable(True) # this should be done on .gpx load; is done on OnMakePDFs (GSASII.py)
        G2frame.dataWindow.helpKey = G2frame.GPXtree.GetItemText(item) # special treatment to avoid PDF_PDF Controls
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        G2pdG.UpdatePDFGrid(G2frame,data)
        if len(data['G(R)']):
            if 'I(Q)' in data:  G2plt.PlotISFG(G2frame,data,plotType='I(Q)')
            if 'S(Q)' in data:  G2plt.PlotISFG(G2frame,data,plotType='S(Q)')
            if 'F(Q)' in data:  G2plt.PlotISFG(G2frame,data,plotType='F(Q)')
            G2plt.PlotISFG(G2frame,data,plotType='G(R)')
    elif G2frame.GPXtree.GetItemText(parentID) == 'Phases':
        data = G2frame.GPXtree.GetItemPyData(item)
        # debug stuff
        # if GSASIIpath.GetConfigValue('debug'):
        #     print('Debug: reloading G2phG')
        #     import imp
        #     imp.reload(G2phG)
        # end debug stuff            
        G2phG.UpdatePhaseData(G2frame,item,data)
    elif G2frame.GPXtree.GetItemText(parentID) == 'Restraints':
        data = G2frame.GPXtree.GetItemPyData(parentID)
        phaseName = G2frame.GPXtree.GetItemText(item)
        if phaseName not in data:
            data[phaseName] = {}
        G2restG.UpdateRestraints(G2frame,data,phaseName)
    elif G2frame.GPXtree.GetItemText(item) == 'Comments':
        SetDataMenuBar(G2frame,G2frame.dataWindow.DataCommentsMenu)
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        UpdateComments(G2frame,data)
    elif G2frame.GPXtree.GetItemText(item) == 'Image Controls':
        G2frame.Image = G2frame.GPXtree.GetItemParent(item)
        masks = G2frame.GPXtree.GetItemPyData(
            GetGPXtreeItemId(G2frame,G2frame.Image, 'Masks'))
        data = G2frame.GPXtree.GetItemPyData(item)
        G2frame.ImageZ = G2imG.GetImageZ(G2frame,data)
        G2imG.UpdateImageControls(G2frame,data,masks)
        G2plt.PlotImage(G2frame,newPlot=False)
    elif G2frame.GPXtree.GetItemText(item) == 'Masks':
        G2frame.Image = G2frame.GPXtree.GetItemParent(item)
        masks = G2frame.GPXtree.GetItemPyData(item)
        data = G2frame.GPXtree.GetItemPyData(
            GetGPXtreeItemId(G2frame,G2frame.Image, 'Image Controls'))
        G2frame.ImageZ = G2imG.GetImageZ(G2frame,data)
        G2imG.UpdateMasks(G2frame,masks)
        G2plt.PlotImage(G2frame,newPlot=False)
    elif G2frame.GPXtree.GetItemText(item) == 'Stress/Strain':
        G2frame.Image = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(
            GetGPXtreeItemId(G2frame,G2frame.Image, 'Image Controls'))
        G2frame.ImageZ = G2imG.GetImageZ(G2frame,data,newRange=False)
        strsta = G2frame.GPXtree.GetItemPyData(item)
        G2plt.PlotStrain(G2frame,strsta,newPlot=True)
        G2plt.PlotImage(G2frame,newPlot=False)
        G2imG.UpdateStressStrain(G2frame,strsta)
    elif G2frame.GPXtree.GetItemText(item) == 'Peak List':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        for i in G2frame.ExportPeakList: i.Enable(True)
        data = G2frame.GPXtree.GetItemPyData(item)
#patch
        if 'list' in str(type(data)):
            data = {'peaks':data,'sigDict':{}}
            G2frame.GPXtree.SetItemPyData(item,data)
#end patch
        # if GSASIIpath.GetConfigValue('debug'):
        #    from importlib import reload
        #    reload(G2pdG)
        #    imp.reload(G2pwd)
        #    reload(G2plt)
        #    print('reloading G2pwdGUI & G2plt')
        G2pdG.UpdatePeakGrid(G2frame,data)
        newPlot = False
        if hasattr(G2frame,'Contour'):
            if G2frame.Contour:
                G2frame.Contour = False
                newPlot = True
        G2plt.PlotPatterns(G2frame,newPlot)
    elif G2frame.GPXtree.GetItemText(item) == 'Background':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        G2pdG.UpdateBackground(G2frame,data)
        G2plt.PlotPatterns(G2frame,True)
    elif G2frame.GPXtree.GetItemText(item) == 'Limits':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        datatype = G2frame.GPXtree.GetItemText(G2frame.PatternId)[:4]
        data = G2frame.GPXtree.GetItemPyData(item)
        G2pdG.UpdateLimitsGrid(G2frame,data,datatype)
        G2plt.PlotPatterns(G2frame,plotType=datatype,newPlot=True)
    elif G2frame.GPXtree.GetItemText(item) == 'Instrument Parameters':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)[0]
        G2pdG.UpdateInstrumentGrid(G2frame,data)
        if 'P' in data['Type'][0]:          #powder data only
            G2plt.PlotPeakWidths(G2frame)
    elif G2frame.GPXtree.GetItemText(item) == 'Models':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        if prfx1 == 'SASD':
            G2pdG.UpdateModelsGrid(G2frame,data)
        elif prfx1 == 'REFD':
            G2pdG.UpdateREFDModelsGrid(G2frame,data)
        G2plt.PlotPatterns(G2frame,plotType=prfx1)
        if prfx1 == 'SASD':
            if len(data['Size']['Distribution']):
                G2plt.PlotSASDSizeDist(G2frame)
            if len(data['Pair']['Distribution']):
                G2plt.PlotSASDPairDist(G2frame)
    elif G2frame.GPXtree.GetItemText(item) == 'Substances':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        G2pdG.UpdateSubstanceGrid(G2frame,data)
    elif G2frame.GPXtree.GetItemText(item) == 'Sample Parameters':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        datatype = G2frame.GPXtree.GetItemText(G2frame.PatternId)[:4]

        if 'Temperature' not in data:           #temp fix for old gpx files
            data = {'Scale':[1.0,True],'Type':'Debye-Scherrer','Absorption':[0.0,False],'DisplaceX':[0.0,False],
                'DisplaceY':[0.0,False],'Temperature':300.,'Pressure':1.0,
                    'FreePrm1':0.,'FreePrm2':0.,'FreePrm3':0.,
                    'Gonio. radius':200.0}
            G2frame.GPXtree.SetItemPyData(item,data)
    
        G2pdG.UpdateSampleGrid(G2frame,data)
        G2plt.PlotPatterns(G2frame,True,plotType=datatype)
    elif G2frame.GPXtree.GetItemText(item) == 'Index Peak List':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        for i in G2frame.ExportPeakList: i.Enable(True)
        data = G2frame.GPXtree.GetItemPyData(item)
#patch
        if len(data) != 2:
            data = [data,[]]
            G2frame.GPXtree.SetItemPyData(item,data)
#end patch
        G2pdG.UpdateIndexPeaksGrid(G2frame,data)
        if 'PKS' in G2frame.GPXtree.GetItemText(G2frame.PatternId):
            G2plt.PlotPowderLines(G2frame)
        else:
            newPlot = False
            if hasattr(G2frame,'Contour'):
                if G2frame.Contour:
                    G2frame.Contour = False
                    newPlot = True
            G2plt.PlotPatterns(G2frame,newPlot)
    elif G2frame.GPXtree.GetItemText(item) == 'Unit Cells List':
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        if not data:
            data.append([0,0.0,4,25.0,0,'P1',1.,1.,1.,90.,90.,90.,1.,'P 1']) #zero error flag, zero value, max Nc/No, start volume
            data.append([0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0])      #Bravais lattice flags
            data.append([])                                 #empty cell list
            data.append([])                                 #empty dmin
            data.append({})                                 #empty superlattice stuff
            data.append([])                                 #empty mag cells list
            G2frame.GPXtree.SetItemPyData(item,data)                             
#patch
        if len(data) < 5:
            data.append({'Use':False,'ModVec':[0,0,0.1],'maxH':1,'ssSymb':''})                                 #empty superlattice stuff
            G2frame.GPXtree.SetItemPyData(item,data)  
#end patch
        # debug stuff
        #if GSASIIpath.GetConfigValue('debug'):
        #    import imp
        #    imp.reload(G2pdG)  # for testing changes
        #    print('debug: reloaded',G2pdG)
        # end debug stuff
        G2pdG.UpdateUnitCellsGrid(G2frame,data)
        if 'PKS' in G2frame.GPXtree.GetItemText(G2frame.PatternId):
            G2plt.PlotPowderLines(G2frame)
        else:
            newPlot = False
            if hasattr(G2frame,'Contour'):
                if G2frame.Contour:
                    G2frame.Contour = False
                    newPlot = True
            G2plt.PlotPatterns(G2frame,newPlot)
            G2plt.PlotPatterns(G2frame)
    elif G2frame.GPXtree.GetItemText(item) == 'Reflection Lists':   #powder reflections
        G2frame.dataWindow.HideShow.Enable(False)
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        data = G2frame.GPXtree.GetItemPyData(item)
        G2frame.RefList = ''
        if len(data):
            G2frame.RefList = list(data.keys())[0]
        G2pdG.UpdateReflectionGrid(G2frame,data)
        newPlot = False
        if hasattr(G2frame,'Contour'):
            if G2frame.Contour:
                G2frame.Contour = False
                newPlot = True
        G2plt.PlotPatterns(G2frame,newPlot)
    elif G2frame.GPXtree.GetItemText(item) == 'Reflection List':    #HKLF reflections
        G2frame.dataWindow.HideShow.Enable(True)
        G2frame.PatternId = G2frame.GPXtree.GetItemParent(item)
        name = G2frame.GPXtree.GetItemText(G2frame.PatternId)
        data = G2frame.GPXtree.GetItemPyData(G2frame.PatternId)
        G2pdG.UpdateReflectionGrid(G2frame,data,HKLF=True,Name=name)

    if G2frame.PickId:
        G2frame.PickIdText = G2frame.GetTreeItemsList(G2frame.PickId)
    # window has been filled, now resize scroll bars
    G2frame.dataWindow.SetDataSize()

    G2frame.Raise()
    if oldFocus:
        oldFocus.GetTopLevelParent().Raise()
        oldFocus.SetFocus()
    #debug code
    # print 'Got here!'
    # def FillWindow(panel,size=1.):
    #         sizer = panel.GetSizer()
    #         sizer.Add(wx.StaticText(panel, wx.ID_ANY, "Panel Two: long line "+int(size*40)*'*', (5,5)))
    #         for i in range(int(size*15)): sizer.Add(wx.StaticText(panel, wx.ID_ANY, "Line "+str(2+i), (5,5)))
    #         panel.Layout()
    #         panel.SendSizeEvent()
    # G2frame.dataWindow.ClearData()
    # FillWindow(G2frame.dataWindow)
        
def SetDataMenuBar(G2frame,menu=None):
    '''Set the menu for the data frame.

    Note that data frame items do not have menus, for these (menu=None)
    display the standard main menu for the data tree window.
    '''
    if menu is None:
        G2frame.SetMenuBar(G2frame.GSASIIMenu)
    else:
        G2frame.SetMenuBar(menu)
        
def FindPhaseItem(G2frame):
    '''Finds the Phase item in the tree. If not present it adds one
    also adding 'Hist/Phase' if config var SeparateHistPhaseTreeItem
    is set as True.
    '''
    if not GetGPXtreeItemId(G2frame,G2frame.root,'Phases'):
        sub = G2frame.GPXtree.AppendItem(parent=G2frame.root,text='Phases')
        if GSASIIpath.GetConfigValue('SeparateHistPhaseTreeItem',False):
            G2frame.GPXtree.AppendItem(parent=G2frame.root,text='Hist/Phase')
    else:
        sub = GetGPXtreeItemId(G2frame,G2frame.root,'Phases')
    return sub
        
if __name__ == '__main__':
    ShowVersions()