Mercurial > repos > recetox > riassigner
comparison macros.xml @ 0:7cc615de435e draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
| author | recetox |
|---|---|
| date | Fri, 20 Aug 2021 12:27:54 +0000 |
| parents | |
| children | 97c0aae5eb69 |
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| -1:000000000000 | 0:7cc615de435e |
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| 1 <macros> | |
| 2 <token name="@TOOL_VERSION@">0.2.0</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"> | |
| 9 <creator> | |
| 10 <organization | |
| 11 url="https://www.recetox.muni.cz/" | |
| 12 name="RECETOX MUNI" /> | |
| 13 </creator> | |
| 14 </xml> | |
| 15 | |
| 16 <token name="@HELP@"> | |
| 17 <![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. | |
| 19 ]]> | |
| 20 </token> | |
| 21 </macros> |