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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 3a85c62de7eb3d9c59a557676729f47fa35bb061
author recetox
date Mon, 03 Apr 2023 14:52:27 +0000
parents 97c020d36c8f
children
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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>
6
7a1c6d4c7935 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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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>
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113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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5 <person
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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6 givenName="Helge"
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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7 familyName="Hecht"
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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8 url="https://github.com/hechth"
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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9 identifier="0000-0001-6744-996X" />
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7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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10 <organization
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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11 url="https://www.recetox.muni.cz/"
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113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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12 email="GalaxyToolsDevelopmentandDeployment@space.muni.cz"
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7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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13 name="RECETOX MUNI" />
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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14 </creator>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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15 </xml>
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113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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16
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7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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17 <token name="@HELP@">
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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18 <![CDATA[
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113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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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
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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20 retention indices for the data. A reference list of retention indexed compounds (traditionally an Alkane series)
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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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
113f5f66e6b9 "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
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22 Dool method or by using cubic spline based interpolation.
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7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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23 ]]>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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24 </token>
7cc615de435e "planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/riassigner commit dc8ac7e3c57d6448fa8e0422e9229e10d2b4525a"
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25 </macros>