From 0bddfc00865405df112dd7c035c44ac1e10a7b35 Mon Sep 17 00:00:00 2001 From: Alex Date: Wed, 1 Nov 2023 16:36:21 -0500 Subject: [PATCH] Removed 131C ions from TMT10 --- MetaMorpheus/EngineLayer/Mods/tmt.txt | 4 ---- MetaMorpheus/Test/Multiplex_Labeling_TMT_iTRAQ.cs | 12 ++++++++++++ 2 files changed, 12 insertions(+), 4 deletions(-) diff --git a/MetaMorpheus/EngineLayer/Mods/tmt.txt b/MetaMorpheus/EngineLayer/Mods/tmt.txt index 81c1482e6..50b735b7c 100644 --- a/MetaMorpheus/EngineLayer/Mods/tmt.txt +++ b/MetaMorpheus/EngineLayer/Mods/tmt.txt @@ -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 @@ -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 diff --git a/MetaMorpheus/Test/Multiplex_Labeling_TMT_iTRAQ.cs b/MetaMorpheus/Test/Multiplex_Labeling_TMT_iTRAQ.cs index 21cc3da21..2b0887175 100644 --- a/MetaMorpheus/Test/Multiplex_Labeling_TMT_iTRAQ.cs +++ b/MetaMorpheus/Test/Multiplex_Labeling_TMT_iTRAQ.cs @@ -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() {