rs-station / careless

Merge X-ray diffraction data with Wilson's priors, variational inference, and metadata
MIT License
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Prior b #116

Closed kmdalton closed 1 year ago

kmdalton commented 1 year ago

Add a couple of utilities for handling b-factors in careless. One allows you to estimate the Wilson b-factor of unmerged data. Another can be used to apply b-factors to careless output which is otherwise on a flat(ish) scale.

codecov-commenter commented 1 year ago

Codecov Report

Merging #116 (6bc37a6) into main (ce39ae0) will decrease coverage by 4.56%. The diff coverage is 5.12%.

@@            Coverage Diff             @@
##             main     #116      +/-   ##
==========================================
- Coverage   82.73%   78.17%   -4.56%     
==========================================
  Files          46       49       +3     
  Lines        1969     2126     +157     
==========================================
+ Hits         1629     1662      +33     
- Misses        340      464     +124     
Flag Coverage Δ
unittests 78.17% <5.12%> (-4.56%) :arrow_down:

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Impacted Files Coverage Δ
careless/stats/prior_b.py 0.00% <0.00%> (ø)
careless/stats/rescale.py 0.00% <0.00%> (ø)
careless/io/manager.py 89.52% <100.00%> (+0.30%) :arrow_up:

... and 11 files with indirect coverage changes

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