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Current version : 3.2 - 19/09/2018
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Current version : 3.2 - 03/07/2019
Publication: Franck Giacomoni, Gildas Le Corguillé, Misharl Monsoor, Marion Landi, Pierre Pericard, Mélanie Pétéra, Christophe Duperier, Marie Tremblay-Franco, Jean-François Martin, Daniel Jacob, Sophie Goulitquer, Etienne A. Thévenot and Christophe Caron (2014). Workflow4Metabolomics: A collaborative research infrastructure for computational metabolomics. Bioinformatics doi:10.1093/bioinformatics/btu813
UPGRADE/NEW - LCMS/Preprocessing - xcms.* (3.0.0): upgrade the xcms version from 1.46.0 to 3.0.0. Note that there aren't any retro compatibility between xcms1.46.0 and xcms3.0.0. You have to run the whole workflow from scratch.
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NEW in Docker - ALL/Statistics - mixmodel ANOVA for repeated measures statistics
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NEW in Docker - ALL/Statistics - ASCA Splitting of the total variance into independent blocks according to the experimental factors and multivariate analysis (SCA) of each block
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NEW in Docker - LCMS/Annotation - bank_inhouse search by accurate mass (and by Retention time) on a local bank
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NEW in Docker - NMR/Annotation - NMR_Annotation Annotation of complex mixture NMR spectra and metabolite proportion estimation