# 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 @@