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Record a second X-ray wavelength (Kα₁/Kα₂) on constant-wavelength instruments#209

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AndrewSazonov merged 9 commits into
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cwl-second-wavelength-placeholder
Jun 17, 2026
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Record a second X-ray wavelength (Kα₁/Kα₂) on constant-wavelength instruments#209
AndrewSazonov merged 9 commits into
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cwl-second-wavelength-placeholder

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Constant-wavelength instruments can now record a second incident wavelength and its relative intensity — the Cu Kα₁/Kα₂ doublet typical of laboratory X-ray sources. The new wavelength and ratio settings are saved with your project and exported in standard CIF, so the information round-trips when you reload or share a project.

This is a groundwork step: the values are stored and shared but not yet used in pattern calculation, so existing single-wavelength experiments behave exactly as before. Setting only a partial pair (a ratio with no second wavelength) is reported as a clear error rather than being silently ignored.

@AndrewSazonov AndrewSazonov added the [scope] enhancement Adds/improves features (major.MINOR.patch) label Jun 17, 2026
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 90.38%. Comparing base (813e22d) to head (df804a8).

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@@             Coverage Diff             @@
##           develop     #209      +/-   ##
===========================================
+ Coverage    90.35%   90.38%   +0.03%     
===========================================
  Files          283      283              
  Lines        24246    24276      +30     
  Branches      2847     2850       +3     
===========================================
+ Hits         21907    21943      +36     
+ Misses        1743     1738       -5     
+ Partials       596      595       -1     
Flag Coverage Δ
unittests 90.38% <100.00%> (+0.03%) ⬆️

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Files with missing lines Coverage Δ
...datablocks/experiment/categories/instrument/cwl.py 100.00% <100.00%> (ø)
src/easydiffraction/io/cif/iucr_transformers.py 90.04% <100.00%> (+1.78%) ⬆️

... and 1 file with indirect coverage changes

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@AndrewSazonov AndrewSazonov merged commit 106c84c into develop Jun 17, 2026
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@AndrewSazonov AndrewSazonov deleted the cwl-second-wavelength-placeholder branch June 19, 2026 12:13
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