Mercurial > repos > recetox > riassigner
view macros.xml @ 2:3c396ae0a1e7 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 0a955803a7f7f47cc13eb8d75d207968536a6564"
author | recetox |
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date | Tue, 25 Jan 2022 09:39:36 +0000 |
parents | 97c0aae5eb69 |
children | 113f5f66e6b9 |
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<macros> <token name="@TOOL_VERSION@">0.3.1</token> <xml name="creator"> <creator> <organization url="https://www.recetox.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>