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Merge pull request #208 from cadenmyers13/improved-cli
refactor: New cli for labpdfproc
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docs/source/examples/example-data/CeO2_635um_accum_0.xy

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'Id: "" Comment: "" Operator: "Lab Manager" Anode: "Mo" Scantype: "Z" TimePerStep: "0.1"
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docs/source/index.rst

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@@ -13,7 +13,7 @@ diffpy.labpdfproc - Tools for processing x-ray powder diffraction data from labo
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Authors
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=======
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diffpy.labpdfproc is developed by Billinge Group
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diffpy.labpdfproc is developed by Yucong Chen, Till Schertenleib, Caden Myers, the Billinge Group
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and its community contributors.
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For a detailed list of contributors see

news/improved-cli.rst

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**Added:**
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* <news item>
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**Changed:**
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* Compartmentalize commands into the subcommands ``mud``, ``zscan``, and ``sample``. See documentation for more info.
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**Deprecated:**
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* <news item>
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**Removed:**
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* <news item>
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**Fixed:**
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* <news item>
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**Security:**
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* <news item>

src/diffpy/labpdfproc/functions.py

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@@ -245,7 +245,7 @@ def _cve_method(method):
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def compute_cve(
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input_pattern, mud, method="polynomial_interpolation", xtype="tth"
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):
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f"""Compute and interpolate the cve
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f"""Compute and interpolate the cylindrical volume effect (cve)
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for the given input diffraction data and mu*D
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using the selected method.
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