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planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit f85839922690f81d3ec5876d1b7981e76e36d363
author workflow4metabolomics
date Mon, 07 Oct 2024 11:40:19 +0000
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+# 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