smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
90 stars 46 forks source link

Spectral recovery update #2273

Open Alexander-Sol opened 1 year ago

Alexander-Sol commented 1 year ago

Previously, spectral recovery was dependent on deconvolution. The updated version uses isolation windows, not deconvoluted precursors, to locate Ms2 spectra associated with MBR-transferred identifications.

This change results in increased performance, as measured by the spectral contrast angle between the recovered and donor spectrum. Tests were edited to account for this.

codecov[bot] commented 1 year ago

Codecov Report

Merging #2273 (882ecdc) into master (7dfe22b) will decrease coverage by 0.12%. The diff coverage is 93.19%.

:exclamation: Current head 882ecdc differs from pull request most recent head 59c4cad. Consider uploading reports for the commit 59c4cad to get more accurate results

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2273      +/-   ##
==========================================
- Coverage   92.02%   91.90%   -0.12%     
==========================================
  Files         135      134       -1     
  Lines       20602    20343     -259     
  Branches     2828     2829       +1     
==========================================
- Hits        18958    18696     -262     
  Misses       1161     1161              
- Partials      483      486       +3     
Impacted Files Coverage Δ
...eLayer/SpectralRecovery/MiniClassicSearchEngine.cs 91.25% <91.25%> (ø)
...eLayer/SpectralRecovery/SpectralRecoveryResults.cs 95.32% <92.10%> (ø)
...eus/TaskLayer/SearchTask/PostSearchAnalysisTask.cs 92.06% <92.30%> (-1.31%) :arrow_down:
...ngineLayer/SpectralRecovery/SpectralRecoveryPSM.cs 93.92% <93.92%> (ø)
MetaMorpheus/TaskLayer/SpectralRecoveryRunner.cs 94.11% <97.36%> (ø)
MetaMorpheus/EngineLayer/PeptideSpectralMatch.cs 98.86% <100.00%> (+0.02%) :arrow_up:
MetaMorpheus/EngineLayer/PsmTsv/PsmTsvHeader.cs 100.00% <100.00%> (ø)
MetaMorpheus/TaskLayer/MetaMorpheusTask.cs 87.26% <100.00%> (-0.02%) :arrow_down:
...skLayer/SearchTask/PostSearchAnalysisParameters.cs 100.00% <100.00%> (ø)
...aMorpheus/TaskLayer/SearchTask/SearchParameters.cs 100.00% <100.00%> (ø)
... and 1 more

... and 9 files with indirect coverage changes