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MBR update +bugfixes #475

Merged
merged 19 commits into from
Aug 2, 2019
Merged

MBR update +bugfixes #475

merged 19 commits into from
Aug 2, 2019

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rmillikin
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@rmillikin rmillikin requested a review from zrolfs June 20, 2019 20:34
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zrolfs commented Jun 20, 2019

Uff da

FlashLFQ/ChromatographicPeak.cs Show resolved Hide resolved
FlashLFQ/FlashLFQResults.cs Outdated Show resolved Hide resolved
FlashLFQ/FlashLFQResults.cs Show resolved Hide resolved
@@ -331,7 +326,7 @@ private void QuantifyMs2IdentifiedPeptides(SpectraFileInfo fileInfo)
xic.RemoveAll(p => !ppmTolerance.Within(p.Mz.ToMass(chargeState), identification.massToLookFor));

// filter by isotopic distribution
List<IsotopicEnvelope> isotopicEnvelopes = GetIsotopicEnvelopes(xic, identification, chargeState, true);
List<IsotopicEnvelope> isotopicEnvelopes = GetIsotopicEnvelopes(xic, identification, chargeState, false);
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I thought that not requiring the monoisotopic mass made the data worse?

FlashLFQ/FlashLfqEngine.cs Outdated Show resolved Hide resolved
FlashLFQ/FlashLfqEngine.cs Outdated Show resolved Hide resolved
FlashLFQ/FlashLfqEngine.cs Outdated Show resolved Hide resolved
FlashLFQ/FlashLfqEngine.cs Outdated Show resolved Hide resolved
@@ -188,7 +187,7 @@ private void NormalizeFractions()
}

// we're only normalizing on a subset of data here because it might take too long to do the whole set
seenInBothBioreps = SubsetData(seenInBothBioreps, filesForThisBiorep.Concat(filesForCond1Biorep1).ToList());
//seenInBothBioreps = SubsetData(seenInBothBioreps, filesForThisBiorep.Concat(filesForCond1Biorep1).ToList());
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meant to be commented out?


return subsetList.ToList();
}
//private List<Peptide> SubsetData(List<Peptide> initialList, List<SpectraFileInfo> spectraFiles)
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Same here

FlashLFQ/FlashLfqEngine.cs Outdated Show resolved Hide resolved
@rmillikin rmillikin requested review from zrolfs and removed request for zrolfs July 29, 2019 17:43
@rmillikin rmillikin changed the title MBR update (false discovery rate implementation+bugfixes) MBR update +bugfixes Jul 31, 2019
@rmillikin rmillikin merged commit a890397 into master Aug 2, 2019
@rmillikin rmillikin deleted the mbrUpdate branch August 2, 2019 16:26
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3 participants