Isolation window center for precursor intensity

caetera · caetera · commit cc78fadfad6b · 2022-02-22T20:04:17.000+01:00
diff --git a/Writer/MzMlSpectrumWriter.cs b/Writer/MzMlSpectrumWriter.cs
@@ -2031,7 +2031,7 @@ private PrecursorListType ConstructPrecursorList(IScanEventBase scanEvent, int?
 
             if (selectedIonMz > ZeroDelta)
             {
-                var selectedIonIntensity = CalculatePrecursorPeakIntensity(_rawFile, precursorScanNumber, selectedIonMz, isolationWidth,
+                var selectedIonIntensity = CalculatePrecursorPeakIntensity(_rawFile, precursorScanNumber, reaction.PrecursorMass, isolationWidth,
                     ParseInput.NoPeakPicking.Contains((int)msLevel - 1));
                 if (selectedIonIntensity != null)
                 {

Original file line number	Diff line number	Diff line change
`@@ -2031,7 +2031,7 @@ private PrecursorListType ConstructPrecursorList(IScanEventBase scanEvent, int?`
`2031`	`2031`
`2032`	`2032`	`if (selectedIonMz > ZeroDelta)`
`2033`	`2033`	`{`
`2034`		`- var selectedIonIntensity = CalculatePrecursorPeakIntensity(_rawFile, precursorScanNumber, selectedIonMz, isolationWidth,`
	`2034`	`+ var selectedIonIntensity = CalculatePrecursorPeakIntensity(_rawFile, precursorScanNumber, reaction.PrecursorMass, isolationWidth,`
`2035`	`2035`	`ParseInput.NoPeakPicking.Contains((int)msLevel - 1));`
`2036`	`2036`	`if (selectedIonIntensity != null)`
`2037`	`2037`	`{`