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annotate 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
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7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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1 <macros>
1
97c0aae5eb69 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 42ac00642f210eca50e3ee6b8b7548da6717a599"
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2 <token name="@TOOL_VERSION@">0.3.0</token>
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7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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3 <xml name="creator">
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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4 <creator>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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5 <organization
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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6 url="https://www.recetox.muni.cz/"
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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7 name="RECETOX MUNI" />
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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8 </creator>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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9 </xml>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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10 <token name="@HELP@">
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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11 <![CDATA[
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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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.
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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13 ]]>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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14 </token>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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15 </macros>