annotate macros.xml @ 1:c702620c22b1 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 3a85c62de7eb3d9c59a557676729f47fa35bb061
author recetox
date Mon, 03 Apr 2023 14:52:35 +0000
parents f6bf8f1f3224
children 79818ce5a8bf
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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>
1
c702620c22b1 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 3a85c62de7eb3d9c59a557676729f47fa35bb061
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2 <token name="@TOOL_VERSION@">0.3.4</token>
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f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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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" />
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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10 <organization
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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11 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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12 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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13 name="RECETOX MUNI" />
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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14 </creator>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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15 </xml>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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16
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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17 <token name="@HELP@">
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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18 <![CDATA[
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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19 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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20 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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21 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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22 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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23 ]]>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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24 </token>
f6bf8f1f3224 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
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25 </macros>