Mercurial > repos > recetox > riassigner
view macros.xml @ 5:4abc4359b978 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4b8a43b863ff8a0ff1d5a08e516068853adf358d
author | recetox |
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date | Tue, 16 Apr 2024 11:30:33 +0000 |
parents | 79818ce5a8bf |
children | af25aa61c611 |
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<macros> <token name="@TOOL_VERSION@">0.4.0</token> <xml name="creator"> <creator> <person givenName="Helge" familyName="Hecht" url="https://github.com/hechth" identifier="0000-0001-6744-996X" /> <person givenName="Wudmir" familyName="Rojas" url="https://github.com/wverastegui" identifier="0000-0001-7036-9987" /> <organization url="https://www.recetox.muni.cz/" email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" name="RECETOX MUNI" /> </creator> </xml> <token name="@HELP@"> <![CDATA[ RIAssigner can be used to read data from .msp, .csv and .tsv files using matchms and pandas and to compute the retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series) with retention times is used to compute the RI for a query dataset of retention time values using the van den Dool method or by using cubic spline based interpolation. ]]> </token> </macros>