# HG changeset patch
# User recetox
# Date 1643387066 0
# Node ID 24034fff44e0f0993adaf3875de3674e4261b14a
# Parent 252a6dc07df5553ccaf6cecfadcf33074ec43de1
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox-xmsannotator commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
diff -r 252a6dc07df5 -r 24034fff44e0 macros.xml
--- a/macros.xml Wed Nov 03 18:42:13 2021 +0000
+++ b/macros.xml Fri Jan 28 16:24:26 2022 +0000
@@ -7,8 +7,14 @@
+
@@ -60,6 +66,9 @@
The annotation process generates all possible compound-adduct pairs and matches those pairs to the measured
peaks. A compound-adduct pair is pronounced as a match to a certain peak when the difference of their masses are
withing some tolerance.
+
+ Then, a score and a confidence level is assigned to each match based on peak correlation
+ clustering, metabolite pathway associations, adducts expectations, and isotope conformations.
]]>
diff -r 252a6dc07df5 -r 24034fff44e0 october_recetox_xmsannotator_advanced.xml
--- a/october_recetox_xmsannotator_advanced.xml Wed Nov 03 18:42:13 2021 +0000
+++ b/october_recetox_xmsannotator_advanced.xml Fri Jan 28 16:24:26 2022 +0000
@@ -138,8 +138,6 @@