Mercurial > repos > recetox > riassigner
view macros.xml @ 4:97c020d36c8f draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 58c727d7d85c947331fe6d7869beac53050357c9"
author | recetox |
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date | Mon, 14 Feb 2022 12:03:20 +0000 |
parents | 113f5f66e6b9 |
children | 7a1c6d4c7935 |
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<macros> <token name="@TOOL_VERSION@">0.3.2</token> <xml name="creator"> <creator> <person givenName="Helge" familyName="Hecht" url="https://github.com/hechth" identifier="0000-0001-6744-996X" /> <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>