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bug fix Modification Info List which reports the the modification stoichiometry in PSM counts and fractions on the full protein sequence #2321

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merged 19 commits into from
Dec 11, 2023

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@trishorts trishorts commented Dec 1, 2023

The protein groups output has a column that is labeled "Modification Info List" that reports the count of psms for each localized PTM relative to the count of all PSMs containing that amino acid position. See example below. The currently reported number is incorrect. I believe this error comes from a failure to apply the ".Resolve" method that we use for writing the AllPSMs.psmtsv. This PR provides the correct number.

#aa279[N->D on N,info:occupancy=0.04(1/28)];#aa285[N->D on N,info:occupancy=0.40(12/30)];#aa390[N->D on N,info:occupancy=0.17(1/6)];#aa398[N->D on N,info:occupancy=1.00(5/5)]

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codecov bot commented Dec 1, 2023

Codecov Report

Merging #2321 (32f96ad) into master (a7c4c7f) will decrease coverage by 0.01%.
The diff coverage is 100.00%.

Additional details and impacted files

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@@            Coverage Diff             @@
##           master    #2321      +/-   ##
==========================================
- Coverage   92.67%   92.67%   -0.01%     
==========================================
  Files         135      135              
  Lines       20995    20994       -1     
  Branches     2880     2880              
==========================================
- Hits        19457    19456       -1     
  Misses       1063     1063              
  Partials      475      475              
Files Coverage Δ
...pheus/EngineLayer/ProteinParsimony/ProteinGroup.cs 95.04% <100.00%> (-0.01%) ⬇️

@trishorts trishorts changed the title Protein modification frction bug fix Modification Info List which reports the the modification stoichiometry in PSM counts and fractions on the full protein sequence Dec 1, 2023
@trishorts trishorts added the Bug label Dec 1, 2023
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@nbollis nbollis left a comment

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Proteases.tsv should also be updated in Mzlib. We should look into having this stored in one location only if possible.

Other comment is just about reducing algorithmic complexity slightly, will not hold up my approval for it

@trishorts trishorts merged commit be44e03 into smith-chem-wisc:master Dec 11, 2023
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4 participants