From ee063e83734646be2028ce43a8c8e024b84dde74 Mon Sep 17 00:00:00 2001
From: Bishoy Wadie <38420248+Bisho2122@users.noreply.github.com>
Date: Wed, 31 Jan 2024 16:22:02 +0100
Subject: [PATCH] Removing CHNOPS adducts from decoy pool

Having CHNOPS based adducts will increase the chance for a generated decoy ion to be isomeric or isobaric to an ion of a real molecule. As this affects the FDR calculation, it's important to remove those adducts from the decoy selection pool.
---
 metaspace/engine/sm/engine/annotation/fdr.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/metaspace/engine/sm/engine/annotation/fdr.py b/metaspace/engine/sm/engine/annotation/fdr.py
index ff4f3bbee..4ae459104 100644
--- a/metaspace/engine/sm/engine/annotation/fdr.py
+++ b/metaspace/engine/sm/engine/annotation/fdr.py
@@ -12,8 +12,8 @@
 
 DECOY_ADDUCTS = [
     # fmt: off
-    '+He', '+Li', '+Be', '+B', '+C', '+N', '+O', '+F', '+Ne', '+Mg',
-    '+Al', '+Si', '+P', '+S', '+Cl', '+Ar', '+Ca', '+Sc', '+Ti', '+V',
+    '+He', '+Li', '+Be', '+B', '+F', '+Ne', '+Mg',
+    '+Al', '+Si', '+Ar', '+Ca', '+Sc', '+Ti', '+V',
     '+Cr', '+Mn', '+Fe', '+Co', '+Ni', '+Cu', '+Zn', '+Ga', '+Ge', '+As',
     '+Se', '+Br', '+Kr', '+Rb', '+Sr', '+Y', '+Zr', '+Nb', '+Mo', '+Ru',
     '+Rh', '+Pd', '+Ag', '+Cd', '+In', '+Sn', '+Sb', '+Te', '+I', '+Xe',