Fixing isolation offset handling in mzML

caetera · caetera · commit 3d899ea19c38 · 2022-10-20T20:01:03.000+02:00
diff --git a/Writer/MzMlSpectrumWriter.cs b/Writer/MzMlSpectrumWriter.cs
@@ -2219,7 +2219,7 @@ private PrecursorListType ConstructPrecursorList(int precursorScanNumber, IScanE
                     {
                         accession = "MS:1000828",
                         name = "isolation window lower offset",
-                        value = offset.ToString(CultureInfo.InvariantCulture),
+                        value = (isolationWidth.Value - offset).ToString(CultureInfo.InvariantCulture),
                         cvRef = "MS",
                         unitCvRef = "MS",
                         unitAccession = "MS:1000040",

Original file line number	Diff line number	Diff line change
`@@ -2219,7 +2219,7 @@ private PrecursorListType ConstructPrecursorList(int precursorScanNumber, IScanE`
`2219`	`2219`	`{`
`2220`	`2220`	`accession = "MS:1000828",`
`2221`	`2221`	`name = "isolation window lower offset",`
`2222`		`- value = offset.ToString(CultureInfo.InvariantCulture),`
	`2222`	`+ value = (isolationWidth.Value - offset).ToString(CultureInfo.InvariantCulture),`
`2223`	`2223`	`cvRef = "MS",`
`2224`	`2224`	`unitCvRef = "MS",`
`2225`	`2225`	`unitAccession = "MS:1000040",`