From 74d4d5b21ee8bcfecd6ab1141c7ac0340b10eb4f Mon Sep 17 00:00:00 2001 From: Lazar Zivadinovic Date: Tue, 6 Jan 2026 13:52:29 +0100 Subject: [PATCH 1/2] Remove msLevels retrival out of the for loop; Raw file wont change in single function call --- Writer/MetadataWriter.cs | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/Writer/MetadataWriter.cs b/Writer/MetadataWriter.cs index d424cc4..4b3a96a 100644 --- a/Writer/MetadataWriter.cs +++ b/Writer/MetadataWriter.cs @@ -47,6 +47,9 @@ public void WriteMetadata(IRawDataPlus rawFile, int firstScanNumber, int lastSca { if(rawFile.SelectMsData()) { + // Get MS levels + msLevels = WriterUtil.CountScanOrder(rawFile); + for (var scanNumber = firstScanNumber; scanNumber <= lastScanNumber; scanNumber++) { var time = rawFile.RetentionTimeFromScanNumber(scanNumber); @@ -57,9 +60,6 @@ public void WriteMetadata(IRawDataPlus rawFile, int firstScanNumber, int lastSca // Get the scan event for this scan number var scanEvent = rawFile.GetScanEventForScanNumber(scanNumber); - // Get MS levels - msLevels = WriterUtil.CountScanOrder(rawFile); - if (time > maxTime) maxTime = time; if (time < minTime) From e450deb66c0c6da4c8f11819fc00bfbbef7e2237 Mon Sep 17 00:00:00 2001 From: Lazar Zivadinovic Date: Tue, 6 Jan 2026 14:04:46 +0100 Subject: [PATCH 2/2] Fix typo --- Writer/MetadataWriter.cs | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Writer/MetadataWriter.cs b/Writer/MetadataWriter.cs index 4b3a96a..091615d 100644 --- a/Writer/MetadataWriter.cs +++ b/Writer/MetadataWriter.cs @@ -174,10 +174,10 @@ private void WriteJsonMetada(IRawDataPlus rawFile, int firstScanNumber, int last metadata.addMSData(new CVTerm("PRIDE:0000481", "PRIDE", "Number of MS1 spectra", msLevels[MSOrderType.Ms].ToString())); if (msLevels[MSOrderType.Ms2] > 0) - metadata.addMSData(new CVTerm("PRIDE:0000482", "PRIDE", "Number of MS1 spectra", + metadata.addMSData(new CVTerm("PRIDE:0000482", "PRIDE", "Number of MS2 spectra", msLevels[MSOrderType.Ms2].ToString())); if (msLevels[MSOrderType.Ms3] > 0) - metadata.addMSData(new CVTerm("PRIDE:0000483", "PRIDE", "Number of MS1 spectra", + metadata.addMSData(new CVTerm("PRIDE:0000483", "PRIDE", "Number of MS3 spectra", msLevels[MSOrderType.Ms3].ToString())); metadata.addMSData(new CVTerm("PRIDE:0000472", "PRIDE", "MS min charge",