Align IUCr CIF tags and report export

[AndrewSazonov]

No description provided.

[codecov]

Codecov Report

❌ Patch coverage is 87.61755% with 158 lines in your changes missing coverage. Please review.
✅ Project coverage is 85.60%. Comparing base (5a6fea2) to head (3320d33).

Files with missing lines	Patch %	Lines
src/easydiffraction/io/cif/iucr_writer.py	83.00%	65 Missing and 38 partials ⚠️
src/easydiffraction/io/cif/iucr_transformers.py	88.23%	12 Missing and 10 partials ⚠️
src/easydiffraction/analysis/analysis.py	90.90%	6 Missing and 6 partials ⚠️
src/easydiffraction/report/check.py	83.07%	8 Missing and 3 partials ⚠️
src/easydiffraction/report/report.py	66.66%	7 Missing ⚠️
src/easydiffraction/io/cif/serialize.py	95.89%	2 Missing and 1 partial ⚠️

Additional details and impacted files

@@             Coverage Diff             @@
##           develop     #184      +/-   ##
===========================================
+ Coverage    85.50%   85.60%   +0.09%     
===========================================
  Files          213      217       +4     
  Lines        17013    18199    +1186     
  Branches      1985     2133     +148     
===========================================
+ Hits         14547    15579    +1032     
- Misses        1693     1791      +98     
- Partials       773      829      +56     

Flag	Coverage Δ
integration	70.98% <70.29%> (-0.12%)	⬇️
unittests	78.45% <79.93%> (+0.06%)	⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files with missing lines	Coverage Δ
...diffraction/analysis/categories/aliases/default.py	100.00% <ø> (ø)
...raction/analysis/categories/constraints/default.py	95.00% <ø> (ø)
...raction/analysis/categories/fit_result/bayesian.py	100.00% <ø> (ø)
...ydiffraction/analysis/categories/fit_result/lsq.py	100.00% <100.00%> (ø)
...action/analysis/categories/fitting_mode/default.py	100.00% <ø> (ø)
...ffraction/analysis/categories/joint_fit/default.py	100.00% <ø> (ø)
...ydiffraction/analysis/categories/minimizer/base.py	83.67% <ø> (ø)
...ion/analysis/categories/minimizer/bayesian_base.py	100.00% <ø> (ø)
...diffraction/analysis/categories/minimizer/emcee.py	98.03% <ø> (ø)
...fraction/analysis/categories/minimizer/lsq_base.py	100.00% <ø> (ø)
... and 25 more

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