[WIP] Multiplex reporting #2286
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## master #2286 +/- ##
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- Coverage 91.92% 91.92% -0.01%
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Files 133 134 +1
Lines 20272 20290 +18
Branches 2824 2826 +2
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+ Hits 18635 18651 +16
- Misses 1156 1157 +1
- Partials 481 482 +1
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| return ionLabels; | ||
| } | ||
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| public double[] GetMultiplexIonIntensities(MzSpectrum scan, double ppmTolerance = 10) |
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Is this tolerance settable by the user? If not, should it be?
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I don't think so, but honestly I haven't thought about it too deeply. Ten is a heuristic value that seems to be working, but it's possible that we could implement it as a user specified value in the future.
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tolerance should match fragment ion tolerance for the file
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| foreach(var psm in Parameters.AllPsms) | ||
| { | ||
| psm.SetMultiplexIonIntensities(MultiplexMod); | ||
| } | ||
| return; |
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For each psm, are you only setting the multiplex (diagnostic) ion intensities of a single modification?
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Yessir. When Multiplex Quant is enabled, the user can only select one type of multiplex modification (e.g., TMT11 on K + TMT11 on N-terminus). We only need to store the ion intensities for that one multiplex mod.
Alexander-Sol
added
WIP
Small refactor to multiplex ion quantification to increase speed and code quality. Introduced MultiplexMod class to handle all multiplex operations.