Mercurial > repos > recetox > riassigner

comparison macros.xml @ 3:113f5f66e6b9 draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
author recetox
date Fri, 28 Jan 2022 16:30:37 +0000
parents 3c396ae0a1e7
children 97c020d36c8f
comparison
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2:3c396ae0a1e7 3:113f5f66e6b9
1 <macros> 1 <macros>
2 <token name="@TOOL_VERSION@">0.3.1</token> 2 <token name="@TOOL_VERSION@">0.3.1</token>
3 <xml name="creator"> 3 <xml name="creator">
4 <creator> 4 <creator>
5 <person
6 givenName="Helge"
7 familyName="Hecht"
8 url="https://github.com/hechth"
9 identifier="0000-0001-6744-996X" />
5 <organization 10 <organization
6 url="https://www.recetox.muni.cz/" 11 url="https://www.recetox.muni.cz/"
12 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
7 name="RECETOX MUNI" /> 13 name="RECETOX MUNI" />
8 </creator> 14 </creator>
9 </xml> 15 </xml>
16
10 <token name="@HELP@"> 17 <token name="@HELP@">
11 <![CDATA[ 18 <![CDATA[
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 RIAssigner can be used to read data from .msp, .csv and .tsv files using matchms and pandas and to compute the
20 retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series)
21 with retention times is used to compute the RI for a query dataset of retention time values using the van den
22 Dool method or by using cubic spline based interpolation.
13 ]]> 23 ]]>
14 </token> 24 </token>
15 </macros> 25 </macros>