Mercurial > repos > recetox > assign_ri_from_comment
comparison macros.xml @ 0:6975af39ba79 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
author | recetox |
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date | Thu, 22 Feb 2024 10:40:33 +0000 |
parents | |
children | 97ccdb1ba47c |
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-1:000000000000 | 0:6975af39ba79 |
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1 <macros> | |
2 <token name="@TOOL_VERSION@">0.4.0</token> | |
3 <xml name="creator"> | |
4 <creator> | |
5 <person | |
6 givenName="Helge" | |
7 familyName="Hecht" | |
8 url="https://github.com/hechth" | |
9 identifier="0000-0001-6744-996X" /> | |
10 <person | |
11 givenName="Wudmir" | |
12 familyName="Rojas" | |
13 url="https://github.com/wverastegui" | |
14 identifier="0000-0001-7036-9987" /> | |
15 <organization | |
16 url="https://www.recetox.muni.cz/" | |
17 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" | |
18 name="RECETOX MUNI" /> | |
19 </creator> | |
20 </xml> | |
21 | |
22 <token name="@HELP@"> | |
23 <![CDATA[ | |
24 RIAssigner can be used to read data from .msp, .csv and .tsv files using matchms and pandas and to compute the | |
25 retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series) | |
26 with retention times is used to compute the RI for a query dataset of retention time values using the van den | |
27 Dool method or by using cubic spline based interpolation. | |
28 ]]> | |
29 </token> | |
30 </macros> |