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Soften calibration tolerance #2423

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trishorts
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@trishorts trishorts commented Oct 8, 2024

Changes to the calculation of q-value in release 1.0.6 made it challenging for some files to have enough PSMs to support calibration. This PR does nothing to help with that problem. Analysis demonstrated that repeated calibration and adjusting the cutoff to worse q-value tolerances did essentially nothing to improve calibration. This PR simply streamlines the process, eliminating the multi step procedure to select psms for calibration.

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@trishorts trishorts added Maintenance WIP Work in progress, not ready for review labels Oct 8, 2024
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codecov bot commented Oct 8, 2024

Codecov Report

Attention: Patch coverage is 82.60870% with 8 lines in your changes missing coverage. Please review.

Project coverage is 93.72%. Comparing base (8c8fe5f) to head (fdb98ce).
Report is 3 commits behind head on master.

Files with missing lines Patch % Lines
...pheus/TaskLayer/CalibrationTask/CalibrationTask.cs 84.09% 5 Missing and 2 partials ⚠️
...ineLayer/Calibration/DataPointAcquisitionEngine.cs 50.00% 1 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2423      +/-   ##
==========================================
+ Coverage   93.67%   93.72%   +0.05%     
==========================================
  Files         141      141              
  Lines       21925    21863      -62     
  Branches     3007     2999       -8     
==========================================
- Hits        20539    20492      -47     
+ Misses        934      921      -13     
+ Partials      452      450       -2     
Files with missing lines Coverage Δ
...pheus/EngineLayer/Calibration/CalibrationEngine.cs 94.70% <ø> (-0.11%) ⬇️
...ineLayer/Calibration/DataPointAquisitionResults.cs 100.00% <ø> (+19.56%) ⬆️
...ineLayer/Calibration/DataPointAcquisitionEngine.cs 94.84% <50.00%> (-0.47%) ⬇️
...pheus/TaskLayer/CalibrationTask/CalibrationTask.cs 89.77% <84.09%> (+0.04%) ⬆️

... and 2 files with indirect coverage changes

@Alexander-Sol Alexander-Sol merged commit c2d5a41 into smith-chem-wisc:master Oct 18, 2024
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4 participants