Mercurial > repos > ethevenot > profia
annotate profia_config.xml @ 0:39ccace77270 draft
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
author | ethevenot |
---|---|
date | Sun, 26 Mar 2017 17:37:12 -0400 |
parents | |
children | 4753e64cf694 |
rev | line source |
---|---|
0
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
1 <tool id="profia" name="proFIA" version="3.0.0"> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
2 <description>Preprocessing of FIA-HRMS data</description> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
3 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
4 <requirements> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
5 <requirement type="package">r-batch</requirement> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
6 <requirement type="package">r-FNN</requirement> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
7 <requirement type="package">r-maxLik</requirement> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
8 <requirement type="package">r-minpack.lm</requirement> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
9 <requirement type="package">r-pracma</requirement> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
10 <requirement type="package">bioconductor-proFIA</requirement> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
11 </requirements> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
12 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
13 <stdio> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
14 <exit_code range="1:" level="fatal" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
15 </stdio> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
16 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
17 <command><![CDATA[ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
18 Rscript $__tool_directory__/profia_wrapper.R |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
19 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
20 #if $inputs.input == "lib": |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
21 library $__app__.config.user_library_import_dir/$__user_email__/$inputs.library |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
22 #elif $inputs.input == "zip_file": |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
23 zipfile $inputs.zip_file |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
24 #end if |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
25 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
26 ppmN "$ppmN" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
27 ppmGroupN "$ppmGroupN" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
28 fracGroupN "$fracGroupN" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
29 kI "$kI" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
30 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
31 dataMatrix_out "$dataMatrix_out" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
32 sampleMetadata_out "$sampleMetadata_out" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
33 variableMetadata_out "$variableMetadata_out" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
34 figure "$figure" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
35 information "$information" |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
36 ]]></command> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
37 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
38 <inputs> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
39 <conditional name="inputs"> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
40 <param name="input" type="select" label="Choose your input method" > |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
41 <option value="zip_file" selected="true">Zip file from your history containing your raw files</option> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
42 <option value="lib" >Library directory name</option> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
43 </param> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
44 <when value="zip_file"> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
45 <param name="zip_file" type="data" format="no_unzip.zip,zip" label="Zip file" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
46 </when> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
47 <when value="lib"> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
48 <param name="library" type="text" size="40" label="Library directory name" help="The name of your directory containing all your data" > |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
49 <validator type="empty_field"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
50 </param> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
51 </when> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
52 </conditional> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
53 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
54 <param name="ppmN" label="Maximum deviation between centroids during band detection (in ppm)" type="text" value = "5" help="[ppm]" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
55 <param name="ppmGroupN" label="Accuracy of the mass spectrometer to be used during feature alignment (in ppm)" type="text" value = "5" help="[ppmGroup] Should be inferior or equal to the deviation parameter above." /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
56 <param name="fracGroupN" label=" Minimum fraction of samples in which a peak should be detected in at least one class to be kept during feature alignment" type="text" value = "0.5" help="[fracGroup]" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
57 <param name="kI" label="Number of neighbour features to be used for imputation (select 0 to skip the imputation step)" type="text" value = "5" help="[k]" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
58 </inputs> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
59 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
60 <outputs> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
61 <data name="dataMatrix_out" label="${tool.name}_dataMatrix.tsv" format="tabular" ></data> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
62 <data name="sampleMetadata_out" label="${tool.name}_sampleMetadata.tsv" format="tabular" ></data> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
63 <data name="variableMetadata_out" label="${tool.name}_variableMetadata.tsv" format="tabular" ></data> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
64 <data name="figure" label="${tool.name}_figure.pdf" format="pdf"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
65 <data name="information" label="${tool.name}_information.txt" format="txt"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
66 </outputs> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
67 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
68 <tests> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
69 <test> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
70 <param name="inputs|input" value="zip_file" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
71 <param name="inputs|zip_file" value="input-plasFIA.zip" ftype="zip" /> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
72 <param name="ppmN" value="2"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
73 <param name="ppmGroupN" value="1"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
74 <param name="fracGroupN" value="0.1"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
75 <param name="kI" value="2"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
76 <output name="dataMatrix_out" file="output-dataMatrix.tsv"/> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
77 </test> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
78 </tests> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
79 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
80 <help> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
81 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
82 .. class:: infomark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
83 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
84 **Author** Alexis Delabriere and Etienne Thevenot (CEA, LIST, MetaboHUB Paris, etienne.thevenot@cea.fr) |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
85 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
86 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
87 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
88 .. class:: infomark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
89 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
90 **Please cite** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
91 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
92 Delabriere A., Hohenester U., Junot C. and Thevenot E.A. *proFIA*: A data preprocessing workflow for Flow Injection Analysis coupled to High-Resolution Mass Spectrometry. *submitted*. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
93 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
94 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
95 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
96 .. class:: infomark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
97 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
98 **R package** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
99 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
100 The **proFIA** package is available from the bioconductor repository `http://bioconductor.org/packages/proFIA <http://bioconductor.org/packages/proFIA>`_ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
101 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
102 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
103 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
104 .. class:: infomark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
105 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
106 **Tool updates** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
107 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
108 See the **NEWS** section at the bottom of this page |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
109 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
110 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
111 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
112 ========================================================== |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
113 *proFIA*: Preprocessing workflow for FIA-HRMS data |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
114 ========================================================== |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
115 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
116 ----------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
117 Description |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
118 ----------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
119 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
120 **Flow Injection Analysis coupled to High-Resolution Mass Spectrometry (FIA-HRMS)** is a promising approach for **high-throughput metabolomics** (Madalinski *et al.*, 2008; Fuhrer *et al.*, 2011; Draper *et al.*, 2013). FIA- HRMS data, however, cannot be preprocessed with current software tools which rely on liquid chromatography separation, or handle low resolution data only. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
121 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
122 The **proFIA module is a workflow** allowing to preprocess FIA-HRMS raw data in **centroid** mode and open format (netCDF, mzData, mzXML, and mzML), and generates the table of peak intensities (**peak table**). The workflow consists in **peak detection and quantification** within individual sample files, followed by **alignment** between files in the m/z dimension, and **imputation** of the missing values in the final peak table (Delabriere *et al.*, submitted). For each ion, the graph representing the intensity as a function of time is called a **flowgram**. A flowgram can be modeled as I = kP + ME(P) + B + e, where k is the response factor (corresponding to the ionization properties of the analyte), P is the **sample peak** (normalized profile which is common for all analytes from a sample and depends on the flow injection conditions only), ME is the **matrix effect**, B is the **solvent baseline**, and e is the heteroscedastic noise. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
123 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
124 The generated peak table is available in the '3 table' W4M tabular format (**dataMatrix**, **sampleMetadata**, and **variableMetadata**) for downstream statistical analysis and annotation with W4M modules. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
125 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
126 A figure provides **diagnostics** and visualization of the preprocessed data set. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
127 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
128 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
129 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
130 .. class:: infomark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
131 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
132 **References** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
133 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
134 | Delabriere A., Hohenester U., Junot C. and Thevenot E.A. proFIA: A data preprocessing workflow for Flow Injection Analysis coupled to High-Resolution Mass Spectrometry. *submitted*. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
135 | Draper J., Lloyd A., Goodacre R. and Beckmann M. (2013). Flow infusion electrospray ionisation mass spectrometry for high throughput, non-targeted metabolite fingerprinting: a review. *Metabolomics* 9, 4-29. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
136 | Fuhrer T., Dominik H., Boris B. and Zamboni N. (2011). High-throughput, accurate mass metabolome profiling of cellular extracts by flow injection-time-of-flight mass spectrometry. *Analytical Chemistry* 83, 7074-7080. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
137 | Madalinski G., Godat E., Alves S., Lesage D., Genin E., Levi P., Labarre J., Tabet J., Ezan E. and Junot, C. (2008). Direct introduction of biological samples into a LTQ-orbitrap hybrid mass spectrometer as a tool for fast metabolome analysis. *Analytical Chemistry* 80, 3291-3303. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
138 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
139 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
140 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
141 ----------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
142 Workflow position |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
143 ----------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
144 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
145 .. image:: profia_workflowPositionImage.png |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
146 :width: 600 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
147 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
148 ----------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
149 Input files |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
150 ----------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
151 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
152 +---------------------------+------------+ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
153 | Parameter : num + label | Format | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
154 +===========================+============+ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
155 | 1 : Choose your inputs | zip | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
156 +---------------------------+------------+ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
157 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
158 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
159 You have two methods for your inputs: |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
160 | Zip file (recommended): You can put a zip file containing your inputs: myinputs.zip (containing all your conditions as sub-directories). |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
161 | library folder: You must specify the name of your "library" (folder) created within your space project (for example: /projet/externe/institut/login/galaxylibrary/yourlibrary). Your library must contain all your conditions as sub-directories. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
162 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
163 **Steps for creating the zip file** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
164 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
165 **Step1: Creating your directory and hierarchize the subdirectories** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
166 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
167 .. class:: warningmark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
168 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
169 VERY IMPORTANT: If you zip your files under Windows, you must use the **7Zip** software (http://www.7-zip.org/), otherwise your zip will not be well unzipped on the platform W4M (zip corrupted bug). |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
170 Your zip should contain all your conditions as sub-directories. For example, two conditions (mutant and wild): |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
171 arabidopsis/wild/01.raw |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
172 arabidopsis/mutant/01.raw |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
173 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
174 **Step2: Creating a zip file** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
175 Create your zip file (e.g.: arabidopsis.zip). |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
176 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
177 **Step 3 : Uploading it to our Galaxy server** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
178 If your zip file is less than 2Gb, you get use the Get Data tool to upload it. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
179 Otherwise if your zip file is larger than 2Gb, please refer to the HOWTO on workflow4metabolomics.org (http://application.sb-roscoff.fr/download/w4m/howto/galaxy_upload_up_2Go.pdf). |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
180 For more informations, don't hesitate to send us an email at supportATworkflow4metabolomics.org). |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
181 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
182 **Advices for converting your files for the XCMS input** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
183 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
184 .. class:: warningmark |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
185 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
186 VERY IMPORTANT: your data must be in **centroid** mode. In addition, we recommend you to convert your raw files to mzXML. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
187 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
188 We recommend the following parameters: |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
189 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
190 Use Filtering: **True** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
191 Use Peak Picking: **True** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
192 Peak Peaking -Apply to MS Levels: **All Levels (1-)** : Centroid Mode |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
193 Use zlib: **64** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
194 Binary Encoding: **64** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
195 m/z Encoding: **64** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
196 Intensity Encoding: **64** |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
197 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
198 ---------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
199 Parameters |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
200 ---------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
201 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
202 Maximum deviation between centroids during band detection; in ppm (default = 5) |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
203 | m/z tolerance of centroids corresponding to the same ion from one scan to the other. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
204 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
205 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
206 Accuracy of the mass spectrometer to be used during feature alignment; in ppm (default = 5) |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
207 | Should be inferior or equal to the deviation parameter above. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
208 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
209 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
210 Minimum fraction of samples in which a peak should be detected in at least one class to be kept during feature alignment (default = 0.5) |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
211 | Identical to the corresponding parameter in XCMS. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
212 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
213 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
214 Number of neighbour features to be used for imputation (default = 5) |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
215 | Select 0 to skip the imputation step. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
216 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
217 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
218 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
219 ------------ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
220 Output files |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
221 ------------ |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
222 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
223 dataMatrix.tabular |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
224 | **dataMatrix** tabular separated file with the variables as rows and samples as columns. Missing values are indicated as 'NA' (i.e. when the signal was not significantly different from noise). |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
225 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
226 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
227 sampleMetadata.tabular |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
228 | **sampleMetadata** tabular separated file containing the sample metadata as columns. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
229 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
230 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
231 variableMetadata.tabular |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
232 | **variableMetadata** tabular separated file containing the variable metadata as columns. The **timeShifted** flag is set to 1 when the flowgram is time shifted compared to the sample peak (probably due to liquid retention in the FI tube). The **corSampPeakMean** metric is the correlation between the feature flowgram and the sample peak (values are in [-1, 1]). A value below 0.2 suggests that the feature signal is affected by a strong matrix effect. The **meanSolvent** is the mean baseline signal in the feature flowgrams. The **signalOverSolventPvalueMean** is the mean p-value of the tests discriminating between signal and baseline solvent. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
233 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
234 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
235 figure.pdf |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
236 | Visualization and diagnostics about the preprocessed data set; **Feature quality**: Number of detected features per sample for each of the three categories: 'Well-behaved' features have a peak shape close to the sample peak (optimal FIA acquisition is achieved when the majority of the features fall into this category); 'Shifted' indicates a time shift compared to the sample peak, and probably results from retention in the FI tube; 'Significant Matrix Effect' corresponds to a correlation between the feature and the samples peaks of less than 0.2, which is usually caused by a strong matrix effect; **Sample peaks**: Visualization of the peak model for each sample; should have close shapes in case of similar FIA conditions; **m/z density**: may allow to detect a missing m/z value, and in turn, suggest that the *ppm* parameter should be modified; **PCA score plot** of the log10 intensities to detect sample outliers. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
237 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
238 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
239 information.txt |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
240 | Text file with all messages and warnings generated during the computation. |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
241 | |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
242 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
243 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
244 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
245 --------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
246 Working example |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
247 --------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
248 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
249 Figure output |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
250 ============= |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
251 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
252 .. image:: profia_workingExampleImage.png |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
253 :width: 600 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
254 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
255 --------------------------------------------------- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
256 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
257 ---- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
258 NEWS |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
259 ---- |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
260 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
261 CHANGES IN VERSION 3.0.0 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
262 ======================== |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
263 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
264 NEW FEATURE |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
265 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
266 Creation of the tool |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
267 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
268 </help> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
269 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
270 <citations> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
271 <citation type="bibtex">@Article{DelabriereSubmitted, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
272 Title = {proFIA: A data preprocessing workflow for Flow Injection Analysis coupled to High-Resolution Mass Spectrometry}, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
273 Author = {Delabriere, Alexis and Hohenester, Ulli and Junot, Christophe and Thevenot, Etienne A}, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
274 Journal = {submitted}, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
275 Year = {submitted}, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
276 Pages = {--}, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
277 Volume = {}, |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
278 Doi = {} |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
279 }</citation> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
280 <citation type="doi">10.1093/bioinformatics/btu813</citation> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
281 </citations> |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
282 |
39ccace77270
planemo upload for repository https://github.com/workflow4metabolomics/profia.git commit 2757590af8c7ba9833ba3bebd7da7f96b20d1128-dirty
ethevenot
parents:
diff
changeset
|
283 </tool> |