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Compute spectrum similarity in meta draw #2299

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trishorts
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MetaDraw reports the original spectrum similarity found in the search, even when displaying the scan against a new library spectrum. This PR enables MetaDraw to compute spectrum similarity on the fly against the displayed library spectrum.

The key parts of this code were generated by Alex.

@trishorts trishorts changed the title Compute spectrum similarity in meta draw [WIP] Compute spectrum similarity in meta draw Aug 2, 2023
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codecov bot commented Aug 2, 2023

Codecov Report

Merging #2299 (90c58d5) into master (d9ee565) will increase coverage by 0.05%.
The diff coverage is 94.02%.

Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2299      +/-   ##
==========================================
+ Coverage   92.28%   92.33%   +0.05%     
==========================================
  Files         135      135              
  Lines       20616    20665      +49     
  Branches     2836     2842       +6     
==========================================
+ Hits        19025    19081      +56     
+ Misses       1106     1099       -7     
  Partials      485      485              
Files Changed Coverage Δ
MetaMorpheus/TaskLayer/XLSearchTask/WriteFile.cs 97.74% <ø> (ø)
...ctions/MetaDraw/SpectrumMatch/SpectrumMatchPlot.cs 93.71% <91.66%> (+2.34%) ⬆️
...gineLayer/SpectralLibrarySearch/LibrarySpectrum.cs 98.41% <94.44%> (-1.59%) ⬇️
...etaMorpheus/GuiFunctions/MetaDraw/MetaDrawLogic.cs 95.69% <100.00%> (+0.03%) ⬆️
...Morpheus/GuiFunctions/MetaDraw/MetaDrawSettings.cs 99.11% <100.00%> (ø)
...MetaDraw/SpectrumMatch/PeptideSpectrumMatchPlot.cs 97.40% <100.00%> (+0.21%) ⬆️

@trishorts trishorts changed the title [WIP] Compute spectrum similarity in meta draw Compute spectrum similarity in meta draw Aug 2, 2023
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@Alexander-Sol Alexander-Sol left a comment

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Have you ran this? Is the spectrum similarity displayed automatically?

In my PR, you have to go in to settings and check Spectral Similarity before it's calculated/displayed. It's really unintuitive. Hopefully this PR can make it more obvious

If the spectral similarity in the .psmtsv file is different than the calculated similarity, how is that handled?

@trishorts
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Have you ran this?

Yes

Is the spectrum similarity displayed automatically?

Yes. I changed the default for diplay similarity to true.

In my PR, you have to go in to settings and check Spectral Similarity before it's calculated/displayed. It's really unintuitive. Hopefully this PR can make it more obvious

If the spectral similarity in the .psmtsv file is different than the calculated similarity, how is that handled?

Both are added to the legend (original similarity and new similarity) or something.

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@nbollis nbollis left a comment

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Good. One question and one suggestion

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@nbollis nbollis left a comment

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Great feature

@Alexander-Sol
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Need test coverage.

Need to edit CodeCov to show test coverage of GUI Functions project

@trishorts
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Need test coverage.

Need to edit CodeCov to show test coverage of GUI Functions project

I think we're good on codecov now. The critical function in LibrarySpectrum is now tested.

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Two questions before approval

@nbollis nbollis merged commit 2bf0ae6 into smith-chem-wisc:master Sep 20, 2023
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5 participants