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Allow fixing of scaling model corrections #1883

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merged 7 commits into from
Oct 5, 2021

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jbeilstenedmands
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Certain workflows would benefit from being able to fix particular scaling model corrections.

The use case in mind is to refine an absorption correction when scaling multiple sweeps from a crystal, then in subsequent scaling jobs when combining with other crystals, to be able to keep the individual absorption corrections without further refinement.
Or perhaps if one could determine an absorption correction empirically, then this can be fixed during scaling model minimisation.

Achieved with a phil parameter with the syntax model.correction.fix=correction_name e.g. physical.correction.fix=absorption.

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codecov bot commented Sep 14, 2021

Codecov Report

Merging #1883 (950265a) into main (e7d1423) will increase coverage by 0.02%.
The diff coverage is 84.78%.

❗ Current head 950265a differs from pull request most recent head 2152c6a. Consider uploading reports for the commit 2152c6a to get more accurate results

@@            Coverage Diff             @@
##             main    #1883      +/-   ##
==========================================
+ Coverage   67.15%   67.17%   +0.02%     
==========================================
  Files         617      617              
  Lines       69532    69613      +81     
  Branches     9672     9682      +10     
==========================================
+ Hits        46697    46766      +69     
- Misses      20892    20902      +10     
- Partials     1943     1945       +2     

@jbeilstenedmands jbeilstenedmands merged commit da9b8ca into main Oct 5, 2021
@jbeilstenedmands jbeilstenedmands deleted the fix_scaling_model_components branch October 5, 2021 09:03
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2 participants