TY - DATA T1 - Supporting material for "Galaxy-M: A galaxy workflow for processing and analysing direct infusion and liquid chromatography mass spectrometry-based metabolomics data" AU - Davidson, Robert L AU - Weber, Ralf JM AU - Sharma-Oates, Archana AU - Haoyu Liu AU - Viant, Mark R DO - 10.5524/100146 UR - http://gigadb.org/dataset/100146 AB - Metabolomics is increasingly recognised as an invaluable tool in the biological, medical and environmental sciences yet lags behind the methodological maturity of other ‘omics fields, specifically genomics and transcriptomics. To achieve its full potential, including the integration of multiple ‘omics modalities, the accessibility, standardisation and reproducibility of computational metabolomics tools must to be improved significantly. Here we present an end-to-end metabolomics analysis pipeline that has been developed for both direct infusion mass spectrometry (DIMS) and liquid chromatography mass spectrometry (LC-MS) metabolomics, all wrapped in the Galaxy workflow system. This data repository provides the software and Galaxy configuration files alongside two small test datasets (1xFT-ICR DIMS, 1xLC-MS). To further aid accessibility, the tools, Galaxy and example data are all provided pre-installed in a virtual machine (Ubuntu 14.04LTS 64bit, in the OVF format) that can be downloaded from this repository. Additionally, source code, executables and installation instructions are available from Github and users are encouraged to check this for the most recent updates and additions. KW - Metabolomic KW - Software KW - Workflow KW - Virtual-Machine PY - 2015 PB - GigaScience Database LA - en ER -