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rs-station / reciprocalspaceship

Tools for exploring reciprocal space
https://rs-station.github.io/reciprocalspaceship/
MIT License
29 stars 13 forks source link

Add merging function to rs.algorithms #30

Closed JBGreisman closed 3 years ago

JBGreisman commented 3 years ago

This rs.algorithms.merge() method can be used to merge redundant observations using inverse-variance weights. This implementation can be viewed as a useful demonstration for how to write a custom crystallographic method using rs, and can be used for computing merging statistics. Currently, this method assumes that all observations have been scaled, which is a significant shortcoming to its applications outside of computing merging statistics.

To Do:

codecov-io commented 3 years ago

Codecov Report

Merging #30 (9e39c74) into master (27393ae) will increase coverage by 0.01%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #30      +/-   ##
==========================================
+ Coverage   99.15%   99.16%   +0.01%     
==========================================
  Files          31       32       +1     
  Lines        1299     1323      +24     
==========================================
+ Hits         1288     1312      +24     
  Misses         11       11
Flag Coverage Δ
unittests 99.16% <100.00%> (+0.01%) :arrow_up:

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Impacted Files Coverage Δ
reciprocalspaceship/algorithms/__init__.py 100.00% <100.00%> (ø)
reciprocalspaceship/algorithms/merge.py 100.00% <100.00%> (ø)

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