Mercurial > repos > recetox > october_recetox_xmsannotator_advanced

diff macros.xml @ 17:24034fff44e0 draft default tip

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"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 a48e50d1dba3
children
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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">