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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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Codecov Report
Additional details and impacted files@@ Coverage Diff @@
## master #2321 +/- ##
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- Coverage 92.67% 92.67% -0.01%
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Files 135 135
Lines 20995 20994 -1
Branches 2880 2880
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- Hits 19457 19456 -1
Misses 1063 1063
Partials 475 475
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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
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)]