Mercurial > repos > recetox > october_recetox_xmsannotator_advanced
changeset 17:24034fff44e0 draft default tip
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox-xmsannotator commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author | recetox |
---|---|
date | Fri, 28 Jan 2022 16:24:26 +0000 |
parents | 252a6dc07df5 |
children | |
files | macros.xml october_recetox_xmsannotator_advanced.xml |
diffstat | 2 files changed, 9 insertions(+), 2 deletions(-) [+] |
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--- 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 @@ </xml> <xml name="creator"> <creator> + <person + givenName="Martin" + familyName="Čech" + url="https://github.com/martenson" + identifier="0000-0002-9318-1781" /> <organization url="https://www.recetox.muni.cz/" + email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" name="RECETOX MUNI" /> </creator> </xml> @@ -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. ]]> </token> <xml name="citations">
--- 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 @@ <help> <![CDATA[ @HELP@ - 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. ]]> </help>