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MetaDraw Fragmentation Reanalysis #2361

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@nbollis nbollis commented Apr 29, 2024

Enables the reanalysis of a fragmentation spectrum with additional fragment ion types.

The plotting methods use the MatchedIons of the psm that gets passed in to determine what to plot. To enable this functionality, I had to temporarily replace the fragment ions in the psm with the new matched ions, then put the original ions back in once the plotting has finished.

To use: have your normal MetaDraw Display
image

Select the additional ions you want to search for
image

His the search button. The persist check box will enable this research on all new PSMs you plot

image

…nctional code of the new controls finished, just need to integtrate with the existing MetaDraw structure
…to open up the set methods for the fragment ions in each PsmFromTsv
@nbollis nbollis added the WIP Work in progress, not ready for review label Apr 29, 2024
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codecov bot commented Apr 29, 2024

Codecov Report

Attention: Patch coverage is 95.57522% with 5 lines in your changes are missing coverage. Please review.

Project coverage is 92.81%. Comparing base (3faaaba) to head (ba290e7).

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@@            Coverage Diff             @@
##           master    #2361      +/-   ##
==========================================
+ Coverage   92.79%   92.81%   +0.01%     
==========================================
  Files         137      139       +2     
  Lines       21170    21282     +112     
  Branches     2924     2937      +13     
==========================================
+ Hits        19645    19752     +107     
- Misses       1045     1048       +3     
- Partials      480      482       +2     
Files Coverage Δ
MetaMorpheus/EngineLayer/PsmTsv/PsmFromTsv.cs 96.84% <100.00%> (ø)
.../MetaDraw/FragmentResearching/FragmentViewModel.cs 100.00% <100.00%> (ø)
...etaMorpheus/GuiFunctions/MetaDraw/MetaDrawLogic.cs 95.63% <80.00%> (-0.11%) ⬇️
...entResearching/FragmentationReanalysisViewModel.cs 95.91% <95.91%> (ø)

@trishorts
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pretty cool. i only ever see yAmmoniaLoss. maybe we need unit tests for each of the ion types? sounds like lots of work...... I wonder if we paste a couple of example spectra into proteinprospector if it sees any other fragments.

@nbollis
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nbollis commented May 3, 2024

That is a good idea and maybe a good starter project. Our current tests only truly test b, y, and c ions

@nbollis nbollis added ready for review and removed WIP Work in progress, not ready for review labels May 9, 2024
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