annotate macros.xml @ 4:79818ce5a8bf draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
author recetox
date Thu, 22 Feb 2024 10:40:24 +0000
parents c702620c22b1
children af25aa61c611
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f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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1 <macros>
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79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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2 <token name="@TOOL_VERSION@">0.4.0</token>
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3 <xml name="creator">
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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4 <creator>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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5 <person
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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6 givenName="Helge"
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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7 familyName="Hecht"
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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8 url="https://github.com/hechth"
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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9 identifier="0000-0001-6744-996X" />
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79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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10 <person
79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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11 givenName="Wudmir"
79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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12 familyName="Rojas"
79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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13 url="https://github.com/wverastegui"
79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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14 identifier="0000-0001-7036-9987" />
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f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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15 <organization
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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16 url="https://www.recetox.muni.cz/"
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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17 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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18 name="RECETOX MUNI" />
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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19 </creator>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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20 </xml>
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79818ce5a8bf planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit de7fd0986bce8d42bc7e63f9e4caf3c23862e497
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21
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22 <token name="@HELP@">
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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23 <![CDATA[
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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24 RIAssigner can be used to read data from .msp, .csv and .tsv files using matchms and pandas and to compute the
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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25 retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series)
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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26 with retention times is used to compute the RI for a query dataset of retention time values using the van den
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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27 Dool method or by using cubic spline based interpolation.
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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28 ]]>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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29 </token>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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30 </macros>