Mercurial > repos > recetox > recetox_msfinder

comparison recetox_msfinder.xml @ 1:29fc1af350f5 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/recetox_msfinder commit 7fc8ad942c34ccd1f80cfc67bfb0254631bac16c
author recetox
date Thu, 02 Feb 2023 09:19:40 +0000
parents 7cda9aef13f3
children 42ec41fe2329
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0:7cda9aef13f3 1:29fc1af350f5
19 "IsTmsMeoxDerivative=$IsTmsMeoxDerivative" \ 19 "IsTmsMeoxDerivative=$IsTmsMeoxDerivative" \
20 "RelativeAbundanceCutOff=$RelativeAbundanceCutOff" \ 20 "RelativeAbundanceCutOff=$RelativeAbundanceCutOff" \
21 "Ms1Tolerance=$Ms1Tolerance" \ 21 "Ms1Tolerance=$Ms1Tolerance" \
22 "MassToleranceType=$MassToleranceType" \ 22 "MassToleranceType=$MassToleranceType" \
23 "StructurePredictionTimeOut=$StructurePredictionTimeOut" \ 23 "StructurePredictionTimeOut=$StructurePredictionTimeOut" \
24 "Ocheck=$element_selection.Ocheck" \
25 "Ncheck=$element_selection.Ncheck" \
26 "Pcheck=$element_selection.Pcheck" \
27 "Scheck=$element_selection.Scheck" \
28 "Fcheck=$element_selection.Fcheck" \
29 "ClCheck=$element_selection.ClCheck" \
30 "BrCheck=$element_selection.BrCheck" \
31 "Icheck=$element_selection.Icheck" \
32 "SiCheck=$element_selection.SiCheck" \
33 "LewisAndSeniorCheck=$LewisAndSeniorCheck" \ 24 "LewisAndSeniorCheck=$LewisAndSeniorCheck" \
34 "IsUseRtForFilteringCandidates=False" \ 25 "IsUseRtForFilteringCandidates=False" \
35 "RtToleranceForStructureElucidation=2.5" \ 26 "RtToleranceForStructureElucidation=2.5" \
36 "IsUsePredictedRtForStructureElucidation=False" \ 27 "IsUsePredictedRtForStructureElucidation=False" \
37 "Coeff_RtPrediction=-1" \ 28 "Coeff_RtPrediction=-1" \
46 </configfiles> 37 </configfiles>
47 38
48 <inputs> 39 <inputs>
49 <expand macro="input" /> 40 <expand macro="input" />
50 <expand macro="parameter" /> 41 <expand macro="parameter" />
51 <section name="element_selection" title="Element Selection" expanded="true" help="Generate formula candidates that just contain the elements selected by the users."> 42 <!-- <section name="element_selection" title="Element Selection" expanded="true" help="Generate formula candidates that just contain the elements selected by the users.">
52 <expand macro="element_check_parameter" /> 43 <expand macro="element_check_parameter" />
53 </section> 44 </section> -->
54 </inputs> 45 </inputs>
55 46
56 <outputs> 47 <outputs>
57 <expand macro="output" /> 48 <expand macro="output" />
58 </outputs> 49 </outputs>