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Commit 6006276

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Precursor information un the title
1 parent 6ab19c4 commit 6006276

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2 files changed

+5
-4
lines changed

2 files changed

+5
-4
lines changed

MainClass.cs

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -19,7 +19,7 @@ public static class MainClass
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private static readonly ILog Log =
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LogManager.GetLogger(System.Reflection.MethodBase.GetCurrentMethod().DeclaringType);
2121

22-
public const string Version = "1.3.0-pre";
22+
public const string Version = "1.3.1-pre";
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public static void Main(string[] args)
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{

Writer/MgfSpectrumWriter.cs

Lines changed: 4 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -125,7 +125,10 @@ public override void Write(IRawDataPlus rawFile, int firstScanNumber, int lastSc
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IReaction reaction = GetReaction(scanEvent, scanNumber);
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Writer.WriteLine("BEGIN IONS");
128-
Writer.WriteLine($"TITLE={ConstructSpectrumTitle((int)Device.MS, 1, scanNumber)}");
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if
129+
(ParseInput.MGFPrecursor) Writer.WriteLine($"TITLE={ConstructSpectrumTitle((int)Device.MS, 1, scanNumber)} [PRECURSOR={spectrumRef}]");
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else
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Writer.WriteLine($"TITLE={ConstructSpectrumTitle((int)Device.MS, 1, scanNumber)}");
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Writer.WriteLine($"SCANS={scanNumber}");
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Writer.WriteLine(
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$"RTINSECONDS={(time * 60).ToString(CultureInfo.InvariantCulture)}");
@@ -179,8 +182,6 @@ public override void Write(IRawDataPlus rawFile, int firstScanNumber, int lastSc
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Writer.WriteLine($"CHARGE={charge}{polarity}");
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}
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182-
if(ParseInput.MGFPrecursor) Writer.WriteLine($"PRECURSORTITLE={spectrumRef}");
183-
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// write the filter string
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//Writer.WriteLine($"SCANEVENT={scanEvent.ToString()}");
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