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MetaDraw Fragmentation Reanalysis

Open nbollis opened this issue 9 months ago • 2 comments

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

nbollis avatar Apr 29 '24 15:04 nbollis

Codecov Report

Attention: Patch coverage is 97.48744% with 5 lines in your changes missing coverage. Please review.

Project coverage is 92.89%. Comparing base (efa9b9d) to head (c9a5d79).

Additional details and impacted files

Impacted file tree graph

@@            Coverage Diff             @@
##           master    #2361      +/-   ##
==========================================
+ Coverage   92.85%   92.89%   +0.04%     
==========================================
  Files         137      139       +2     
  Lines       21242    21435     +193     
  Branches     2931     2944      +13     
==========================================
+ Hits        19725    19913     +188     
- Misses       1040     1043       +3     
- Partials      477      479       +2     
Files Coverage Δ
MetaMorpheus/EngineLayer/PsmTsv/PsmFromTsv.cs 97.69% <100.00%> (ø)
...etaMorpheus/GuiFunctions/MetaDraw/DrawnSequence.cs 99.36% <100.00%> (ø)
.../MetaDraw/FragmentResearching/FragmentViewModel.cs 100.00% <100.00%> (ø)
...Morpheus/GuiFunctions/MetaDraw/MetaDrawSettings.cs 99.37% <100.00%> (+0.21%) :arrow_up:
...etaMorpheus/GuiFunctions/MetaDraw/MetaDrawLogic.cs 95.63% <80.00%> (-0.11%) :arrow_down:
...entResearching/FragmentationReanalysisViewModel.cs 95.91% <95.91%> (ø)

codecov[bot] avatar Apr 29 '24 16:04 codecov[bot]

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.

trishorts avatar May 01 '24 16:05 trishorts

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

nbollis avatar May 03 '24 16:05 nbollis

is the top supposed to look like this? image

trishorts avatar Jun 17 '24 13:06 trishorts

i think that export spectrum library should maybe contain the newly annotated fragments. image

trishorts avatar Jun 17 '24 13:06 trishorts

is the top supposed to look like this? image

This has been fixed

nbollis avatar Jun 17 '24 22:06 nbollis