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fix the multi-column load #376 - #413

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rozyczko merged 2 commits into
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376-data-loading-robustness
Sep 15, 2026
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rozyczko merged 2 commits into
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376-data-loading-robustness

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Data loading improvements:

  • Updated _load_txt to always read the first four columns as Qz, R, sR, sQz (in ORSO order), ignoring any extra columns, and clarified in the docstring that error columns are treated as standard deviations and squared to obtain variances.

Data merging improvements:

  • Changed merge_datagroups to use sc.concat along the correct dimension when merging shared keys, ensuring proper concatenation instead of overwriting.

@rozyczko rozyczko added [scope] bug Bug report or fix (major.minor.PATCH) bugfix Fix to known bug [priority] high Should be prioritized soon labels Sep 15, 2026
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 94.57%. Comparing base (53be08b) to head (57131cc).

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@@             Coverage Diff             @@
##           develop     #413      +/-   ##
===========================================
+ Coverage    94.54%   94.57%   +0.03%     
===========================================
  Files           54       54              
  Lines         5517     5515       -2     
===========================================
  Hits          5216     5216              
+ Misses         301      299       -2     
Flag Coverage Δ
integration 38.33% <0.00%> (+0.01%) ⬆️
unittests 94.57% <100.00%> (+0.03%) ⬆️

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Files with missing lines Coverage Δ
src/easyreflectometry/data/measurement.py 94.50% <100.00%> (+2.03%) ⬆️
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Review follow-ups on the _load_txt/merge_datagroups fix:

- The resolution variances are ~1e-9, so asserting them with
  assert_almost_equal passed even against zeros. Use assert_allclose with a
  relative tolerance in the three txt loading tests.
- Cover a single-row file (the ndmin=2 path, which raised before this branch)
  and a comma-delimited file with extra columns.
- Merge two different datasets of different lengths under a shared key, and
  assert dims, unit, length, order and variances. Merging a file with itself
  could not detect a reversed concatenation or lost uncertainties.
- Say "additional numeric columns" (numpy still parses the whole file, so a
  trailing text column remains an error) and "the ORSO default" (the spec also
  permits FWHM, which the ORSO loader converts). State the sigma requirement on
  the public load() too.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
@rozyczko
rozyczko merged commit ad7d255 into develop Sep 15, 2026
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@rozyczko
rozyczko deleted the 376-data-loading-robustness branch September 15, 2026 11:47
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bugfix Fix to known bug [priority] high Should be prioritized soon [scope] bug Bug report or fix (major.minor.PATCH)

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