rs-station / careless

Merge X-ray diffraction data with Wilson's priors, variational inference, and metadata
MIT License
16 stars 6 forks source link

Standardize metadata #83

Closed kmdalton closed 1 year ago

kmdalton commented 1 year ago

This PR does the following 1) During metadata standardization, careless will now ignore columns with standard deviation of zero. The user will get a warning message if any such columns are detected.
2) Add a new --disable-metadata-standardization flag to give users more control over how metadata are pre-processed. This might be useful in situations that involve pre-training / transfer learning.

codecov-commenter commented 1 year ago

Codecov Report

Merging #83 (0348806) into main (bf4734d) will increase coverage by 0.00%. The diff coverage is 85.71%.

@@           Coverage Diff           @@
##             main      #83   +/-   ##
=======================================
  Coverage   82.00%   82.00%           
=======================================
  Files          45       45           
  Lines        1850     1862   +12     
=======================================
+ Hits         1517     1527   +10     
- Misses        333      335    +2     
Flag Coverage Δ
unittests 82.00% <85.71%> (+<0.01%) :arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
careless/args/common.py 100.00% <ø> (ø)
careless/io/formatter.py 90.53% <85.71%> (-0.38%) :arrow_down:

:mega: We’re building smart automated test selection to slash your CI/CD build times. Learn more

kmdalton commented 1 year ago

The current behavior regarding metadata columns with zero standard deviation is to raise a cryptic error. This has been reported by multiple users (most recently in #82). This PR will bypass that confusing error message and instead print a warning.

kumarpradeep12 commented 1 year ago

Hi. I am trying to solve a microED data of a lysozyme crystal.

Link for the datasets: https://drive.google.com/file/d/1ZPynLs2xce7i9NV6Z_7pM3KOPV-5RO7u/view?usp=share_link

I am not able to use careless with it. Anyone help?

Thanks Pradeep pdpk123@gmail.com

kmdalton commented 1 year ago

@kumarpradeep12 , please file an issue and describe your problem in some more detail. At what point are you experiencing difficulty? Are you able to install / run careless on other data? Do you need help converting your files to .mtz format?