Mercurial > repos > pieterlukasse > prims_metabolomics
comparison rankfilterGCMS_tabular.xml @ 21:19d8fd10248e
* Added interface to METEXP data store, including tool to fire queries in batch mode
* Improved quantification output files of MsClust, a.o. sorting
mass list based on intensity (last two columns of quantification
files)
* Added Molecular Mass calculation method
| author | pieter.lukasse@wur.nl |
|---|---|
| date | Wed, 05 Mar 2014 17:20:11 +0100 |
| parents | 24fb75fedee0 |
| children |
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| 20:24fb75fedee0 | 21:19d8fd10248e |
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| 1 <tool id="rankfilterGCMS_tabular" name="RIQC-RankFilter GC-MS from tabular file" version="1.0.2"> | 1 <tool id="rankfilterGCMS_tabular" name="RIQC-RankFilter GC-MS from tabular file" version="1.0.2"> |
| 2 <description>Convert Retention Time to Retention Index</description> | 2 <description>Convert Retention Time to Retention Index</description> |
| 3 <command interpreter="python">rankfilter_GCMS/rankfilter.py $input_file</command> | 3 <command interpreter="python">rankfilter_GCMS/rankfilter.py $input_file</command> |
| 4 <inputs> | 4 <inputs> |
| 5 <param format="tabular" name="sample" type="data" label="Sample File" | 5 <param format="tabular" name="sample" type="data" label="Sample File" |
| 6 help="Converted PDF file in tabular format" /> | 6 help="Select a tab delimited NIST metabolite identifications file (converted from PDF)" /> |
| 7 <!-- question: is this calibration file not column specific as it includes RT info?? --> | 7 <!-- question: is this calibration file not column specific as it includes RT info?? --> |
| 8 <!-- this one should be input file for now:<param name="calibration" type="select" label="Calibration File" | 8 <!-- this one should be input file for now:<param name="calibration" type="select" label="Calibration File" |
| 9 help="Calibration file with reference masses (e.g. alkanes) with their RT and RI values" | 9 help="Calibration file with reference masses (e.g. alkanes) with their RT and RI values" |
| 10 dynamic_options='get_directory_files("tool-data/shared/PRIMS-metabolomics/RankFilter_Calibration_Files")'/> | 10 dynamic_options='get_directory_files("tool-data/shared/PRIMS-metabolomics/RankFilter_Calibration_Files")'/> |
| 11 --> | 11 --> |