Mercurial > repos > recetox > ramclustr_define_experiment

annotate ramclustr_define_experiment.xml @ 4:5f2b58dadb39 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit f79a5b51599254817727bc9028b9797ea994cb4e
author recetox
date Tue, 27 Jun 2023 14:29:49 +0000
parents 049285068dad
children 7bbdcce50541
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
3
049285068dad planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 4a1bc7cba9745fd26e039b1629d4c9d9588ff5c0
recetox
parents: 2
diff changeset
1 <tool id="ramclustr_define_experiment" name="RAMClustR define experiment" version="1.0.2+galaxy0" profile="21.09">
0
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
2 <description>Definition of experimental design used for record keeping and writing spectra data.</description>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
3 <macros>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
4 <import>macros.xml</import>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
5 </macros>
3
049285068dad planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 4a1bc7cba9745fd26e039b1629d4c9d9588ff5c0
recetox
parents: 2
diff changeset
6 <edam_operations>
049285068dad planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 4a1bc7cba9745fd26e039b1629d4c9d9588ff5c0
recetox
parents: 2
diff changeset
7 <edam_operation>operation_3429</edam_operation>
049285068dad planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 4a1bc7cba9745fd26e039b1629d4c9d9588ff5c0
recetox
parents: 2
diff changeset
8 </edam_operations>
049285068dad planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 4a1bc7cba9745fd26e039b1629d4c9d9588ff5c0
recetox
parents: 2
diff changeset
9 <expand macro='annotation'/>
0
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
10 <expand macro="creator"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
11
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
12 <command detect_errors="exit_code"><![CDATA[
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
13 sh ${ramclustr_define_experiment_cli}
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
14 ]]>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
15 </command>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
16 <configfiles>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
17 <configfile name="ramclustr_define_experiment_cli">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
18 python3 ${__tool_directory__}/ramclustr_define_experiment_wrapper.py \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
19 --Experiment "$design.Experiment" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
20 --Species "$design.Species" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
21 --Sample "$design.Sample" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
22 --Contributer "$design.Contributor" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
23 --platform "$platform.platform_choice.choice" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
24 #if $platform.platform_choice.choice == "GC-MS":
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
25 --chrominst "$platform.platform_choice.chrominst" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
26 --msinst "$platform.platform_choice.msinst" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
27 --column "$platform.platform_choice.column" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
28 --InletTemp "$platform.platform_choice.InletTemp" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
29 --TransferTemp "$platform.platform_choice.TransferTemp" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
30 --mstype "$platform.platform_choice.gc_mstype" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
31 --msmode "$platform.platform_choice.msmode" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
32 --ionization "$platform.platform_choice.gc_ionization" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
33 --msscanrange "$platform.platform_choice.msscanrange" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
34 --scantime "$platform.platform_choice.scantime" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
35 --deriv "$platform.platform_choice.deriv" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
36 --MSlevs "$platform.platform_choice.MSlevs" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
37 #else:
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
38 --chrominst "$platform.platform_choice.chrominst" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
39 --msinst "$platform.platform_choice.msinst" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
40 --column "$platform.platform_choice.column" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
41 --solvA "$platform.platform_choice.solvA" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
42 --solvB "$platform.platform_choice.solvB" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
43 --CE1 "$platform.platform_choice.CE1" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
44 --CE2 "$platform.platform_choice.CE2" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
45 --mstype "$platform.platform_choice.lc_mstype" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
46 --msmode "$platform.platform_choice.msmode" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
47 --ionization "$platform.platform_choice.lc_ionization" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
48 --colgas "$platform.platform_choice.colgas" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
49 --msscanrange "$platform.platform_choice.msscanrange" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
50 --conevol "$platform.platform_choice.conevol" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
51 --MSlevs "$platform.platform_choice.MSlevs" \
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
52 #end if
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
53 --output_file "$RAMClustR_experiment"
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
54 </configfile>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
55 </configfiles>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
56 <inputs>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
57 <section name="design" title="Experimental Design" expanded="true">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
58 <param name="Experiment" type="text" label="Experiment name (no spaces).">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
59 <validator type="empty_field"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
60 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
61 <param name="Species" type="text" label="Genus species from which samples are derived."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
62 <param name="Sample" type="text" label="Type of sample (e.g., serum, leaf)."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
63 <param name="Contributor" type="text" label="Your or your PI's name."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
64 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
65
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
66 <section name="platform" title="Platform" expanded="true">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
67 <conditional name="platform_choice">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
68 <param name="choice" type="select" label="Choose platform:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
69 <option value="GC-MS" selected="true">GC-MS</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
70 <option value="LC-MS">LC-MS</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
71 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
72 <when value="GC-MS">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
73 <param name="chrominst" type="text" label="Model of GC instrument."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
74 <param name="msinst" type="text" label="Model of MS instrument."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
75 <param name="column" type="text" label="Column description."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
76 <param name="InletTemp" type="text" label="Temperature of inlet."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
77 <param name="TransferTemp" type="text" label="Temperature of GC to MS transfer line."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
78 <param name="gc_mstype" type="select" label="Type of mass spectrometer:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
79 <option value="QQQ" selected="true">QQQ</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
80 <option value="TOF">TOF</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
81 <option value="QTOF">QTOF</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
82 <option value="Orbi">Orbi</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
83 <option value="Q">Q</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
84 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
85 <param name="msmode" type="select" label="Ion mode:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
86 <option value="positive" selected="true">positive</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
87 <option value="negative">negative</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
88 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
89 <param name="gc_ionization" type="select" label="Ionization:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
90 <option value="EI" selected="true">EI</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
91 <option value="AP">AP</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
92 <option value="CI">CI</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
93 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
94 <param name="msscanrange" type="text" label="Scan range used for acquisition."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
95 <param name="scantime" type="float" value="0.2" label="Time for each full scan spectrum (e.g. 0.2 seconds)."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
96 <param name="deriv" type="select" label="Derivitization:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
97 <option value="TMS" selected="true">TMS</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
98 <option value="TBDMS">TBDMS</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
99 <option value="None">None</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
100 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
101 <param name="MSlevs" type="float" value="1" label="Number of levels of energy acquired - 1 typically."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
102 </when>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
103 <when value="LC-MS">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
104 <param name="chrominst" type="text" label="Model of LC instrument."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
105 <param name="msinst" type="text" label="Model of MS instrument."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
106 <param name="column" type="text" label="Column description."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
107 <param name="solvA" type="text" label="Solvent A composition."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
108 <param name="solvB" type="text" label="Solvent B composition."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
109 <param name="CE1" type="text" label="Collision energy of acquisition of MS data."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
110 <param name="CE2" type="text" label="Collision energy of acquisition for MSe/idMSMS data (when applicable)."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
111 <param name="lc_mstype" type="select" label="Type of mass spectrometer:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
112 <option value="QQQ" selected="true">QQQ</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
113 <option value="TOF">TOF</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
114 <option value="QTOF">QTOF</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
115 <option value="Orbi">Orbi</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
116 <option value="Q">Q</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
117 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
118 <param name="msmode" type="select" label="Ion mode:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
119 <option value="positive" selected="true">positive</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
120 <option value="negative">negative</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
121 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
122 <param name="lc_ionization" type="select" label="Ionization:">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
123 <option value="ESI" selected="true">ESI</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
124 <option value="APCI">APCI</option>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
125 </param>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
126 <param name="colgas" type="text" label="Gas used for collisional dissociation."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
127 <param name="msscanrange" type="text" label="Scan range used for acquisition."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
128 <param name="conevol" type="text" label="Cone voltage used for acquisition."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
129 <param name="MSlevs" type="float" value="1" label="number of levels of energy in XCMS object data - 1 typically."/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
130 </when>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
131 </conditional>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
132 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
133 </inputs>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
134
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
135 <outputs>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
136 <data label="RAMClustR experiment definition" name="RAMClustR_experiment" format="csv" />
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
137 </outputs>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
138
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
139 <tests>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
140 <test><!-- TEST 1 -->
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
141 <section name="design">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
142 <param name="Experiment" value="experiment_gc"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
143 <param name="Species" value="mus musculus"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
144 <param name="Sample" value="serum"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
145 <param name="Contributor" value="recetox"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
146 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
147 <section name="platform">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
148 <section name="platform_choice">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
149 <param name="choice" value="GC-MS"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
150 <param name="chrominst" value="ISQ 7000"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
151 <param name="msinst" value="ISQ7K-VPI"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
152 <param name="column" value="These columns enable analysis of ppm levels of amines without column priming"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
153 <param name="InletTemp" value="33"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
154 <param name="TransferTemp" value="23"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
155 <param name="gc_mstype" value="QTOF"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
156 <param name="msmode" value="positive"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
157 <param name="gc_ionization" value="AP"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
158 <param name="msscanrange" value="100"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
159 <param name="scantime" value="0.2"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
160 <param name="deriv" value="TMS"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
161 <param name="MSlevs" value="1.0"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
162 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
163 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
164 <output name="RAMClustR_experiment" file="gc-ramclustr-define-experiment.csv" ftype="csv"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
165 </test>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
166 <test><!-- TEST 2 -->
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
167 <section name="design">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
168 <param name="Experiment" value="experiment_lc"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
169 <param name="Species" value="mus musculus"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
170 <param name="Sample" value="serum"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
171 <param name="Contributor" value="recetox"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
172 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
173 <section name="platform">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
174 <section name="platform_choice">
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
175 <param name="choice" value="LC-MS"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
176 <param name="chrominst" value="UltiMateX 3000 BioRS System"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
177 <param name="msinst" value="FSN04-10000"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
178 <param name="column" value="These columns enable analysis of ppm levels of amines without column priming"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
179 <param name="solvA" value="H20"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
180 <param name="solvB" value="CO2"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
181 <param name="CE1" value="50"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
182 <param name="CE2" value="100"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
183 <param name="lc_mstype" value="Q"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
184 <param name="msmode" value="negative"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
185 <param name="lc_ionization" value="ESI"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
186 <param name="colgas" value="He"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
187 <param name="msscanrange" value="1000"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
188 <param name="conevol" value="12"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
189 <param name="MSlevs" value="1.0"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
190 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
191 </section>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
192 <output name="RAMClustR_experiment" file="lc-ramclustr-define-experiment.csv" ftype="csv"/>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
193 </test>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
194 </tests>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
195
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
196 <help>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
197 <![CDATA[
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
198 @HELP_experiment@
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
199 ]]>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
200 </help>
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
201
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
202 <expand macro="citations" />
42c2a25ff197 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit c321421a07bfdcc9ed423e9ed2ee794157984ba1
recetox
parents:
diff changeset
203 </tool>