Mercurial > repos > recetox > riassigner

comparison macros.xml @ 1:97c0aae5eb69 draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 42ac00642f210eca50e3ee6b8b7548da6717a599"
author recetox
date Sat, 04 Sep 2021 14:03:58 +0000
parents 7cc615de435e
children 3c396ae0a1e7
comparison
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0:7cc615de435e 1:97c0aae5eb69
1 <macros> 1 <macros>
2 <token name="@TOOL_VERSION@">0.2.0</token> 2 <token name="@TOOL_VERSION@">0.3.0</token>
3 <xml name="requirements">
4 <requirements>
5 <requirement type="package" version="0.2.0">riassigner</requirement>
6 </requirements>
7 </xml>
8 <xml name="creator"> 3 <xml name="creator">
9 <creator> 4 <creator>
10 <organization 5 <organization
11 url="https://www.recetox.muni.cz/" 6 url="https://www.recetox.muni.cz/"
12 name="RECETOX MUNI" /> 7 name="RECETOX MUNI" />
13 </creator> 8 </creator>
14 </xml> 9 </xml>
15
16 <token name="@HELP@"> 10 <token name="@HELP@">
17 <![CDATA[ 11 <![CDATA[
18 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. 12 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.
19 ]]> 13 ]]>
20 </token> 14 </token>