3.2 - 19/09/2019 - bunch of new tools and update (xcmss 3.0)

[lecorguille]

• 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
• NEW in Docker - ALL/Statistics - mixmodel ANOVA for repeated measures statistics
• 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
• NEW in Docker - LCMS/Annotation - bank_inhouse search by accurate mass (and by Retention time) on a local bank
• NEW in Docker - NMR/Annotation - NMR_Annotation Annotation of complex mixture NMR spectra and metabolite proportion estimation
• UPGRADE
  • LCMS/Preprocessing - camera.*
  • FIAMS/Preprocessing - Profia
  • GCMS/Preprocessing - MetaMS
  • NMR/Preprocessing - NMR preprocessing, NMR alignment, NMR bucketing
  • ALL/Quality Metric - Normalization, Transformation, Quality Metrics, Multilevel
  • ALL/Statistics - Univariate, Multivariate, Anova
  • LCMS/Annotation - HMDB MS search, Lipidmaps

[lecorguille]

ping @pkrog (note that I rename the file which contain the tool)

[bgruening]

@lecorguille please let me know if I should get this into https://github.com/usegalaxy-eu/usegalaxy-eu-tools/blob/master/metabolomics.yaml as well.

[lecorguille]

Sure I can update it if you want ( that way, we are sure that you didn't steal them 😛 )

[bgruening]

Urgs, ok please prevent me from doing this :)