Mercurial > repos > workflow4metabolomics > mzxmlshaper
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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit f85839922690f81d3ec5876d1b7981e76e36d363
author | workflow4metabolomics |
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date | Mon, 07 Oct 2024 11:40:19 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.md Mon Oct 07 11:40:19 2024 +0000 @@ -0,0 +1,56 @@ +# mzXML Shaper + + +Metadata +----------- + + * **@name**: mz(X)ML Shaper + * **@galaxyID**: mzxmlshaper + * **@version**: 1.0.0 + * **@authors**: Original code: Quentin Ruin (Contractual engineer - PFEM - INRAE - MetaboHUB) - Maintainer: Melanie Petera (PFEM - INRAE - MetaboHUB) + * **@init date**: 2024, September + * **@main usage**: This tool enables the conversion netCDF, mzML or mzXML files into W4M's XCMS mz(X)ML supported file formats + + +Context +----------- + +The tool was created to cope with unsupported file formats that may not be read by W4M's Galaxy XCMS. + +It can be used for any purpose necessitating standardized mzML or mzXML files, be it visualization in a third-party software, local workflows or W4M XCMS workflows. + +User interface is based on the Galaxy platform (homepage: https://galaxyproject.org/). It is an open, web-based platform for data intensive biomedical research. +Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses. + + +Configuration +----------- + +### Requirement: + * R software: version = 4.3.3 recommended + * bioconductor-msdata = 0.42.0 + * bioconductor-mzr = 2.36.0 + * r-w4mrutils = 1.0.0 + +Technical description +----------- + +Main files: + +- mzXMLShaper.R: R function (core script) +- mzXMLShaper.xml: XML wrapper (interface for Galaxy) +- ko16.CDF: netCDF test file from faahKO Bioconductor package (https://www.bioconductor.org/packages/release/data/experiment/html/faahKO.html) +- ko16.mzml: ko.CDF file converted to mzML using mzR R package +- ko16.mzXml: ko.CDF file converted to mzXML using mzR R package + +Services provided +----------- + + * Help and support: https://community.france-bioinformatique.fr/c/workflow4metabolomics/10 + + + +License +----------- + + * GPL-3.0-or-later