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Removed 131C ions from TMT10 #2314

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Nov 28, 2023
Merged

Removed 131C ions from TMT10 #2314

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4 changes: 0 additions & 4 deletions MetaMorpheus/EngineLayer/Mods/tmt.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -156,8 +156,6 @@ DI HCD:C7 H15 C{13}1 N{15}1
DI HCD:C6 H15 C{13}2 N{15}1
#NL HCD:C5 H15 C{13}3 N{15}1
DI HCD:C5 H15 C{13}3 N{15}1
#NL HCD:C3 N1 H15 C{13}5
DI HCD:C3 N1 H15 C{13}5
#NL HCD:C7 N1 H15 C{13}1
DI HCD:C7 N1 H15 C{13}1
#NL HCD:C6 N1 H15 C{13}2
Expand All @@ -184,8 +182,6 @@ DI HCD:C7 H15 C{13}1 N{15}1
DI HCD:C6 H15 C{13}2 N{15}1
#NL HCD:C5 H15 C{13}3 N{15}1
DI HCD:C5 H15 C{13}3 N{15}1
#NL HCD:C3 N1 H15 C{13}5
DI HCD:C3 N1 H15 C{13}5
#NL HCD:C7 N1 H15 C{13}1
DI HCD:C7 N1 H15 C{13}1
#NL HCD:C6 N1 H15 C{13}2
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12 changes: 12 additions & 0 deletions MetaMorpheus/Test/Multiplex_Labeling_TMT_iTRAQ.cs
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Expand Up @@ -231,6 +231,18 @@ public static void TestTmtQuantificationOutput()
Directory.Delete(outputFolder, true);
}

[Test]
public static void TestTMT10vs11()
{
var tmt10 = GlobalVariables.AllModsKnown
.First(m => m.ModificationType == "Multiplex Label" && m.IdWithMotif.Contains("TMT10"));
var tmt11 = GlobalVariables.AllModsKnown
.First(m => m.ModificationType == "Multiplex Label" && m.IdWithMotif.Contains("TMT11"));

Assert.That(tmt10.DiagnosticIons[DissociationType.HCD].Count, Is.EqualTo(10));
Assert.That(tmt10.DiagnosticIons[DissociationType.HCD].Max(), Is.LessThan(tmt11.DiagnosticIons[DissociationType.HCD].Max()));
}

[Test]
public static void TestDiLeuQuantificationOutput()
{
Expand Down