README.md

container-ecomet

Eco-Metabolomics container containing R and packages used in Ecology and Metabolomics

Short Description

This container bundles frequently used tools in Ecological Metabolomics.

This container also contains R scripts that are needed to run the Galaxy workflow for the Metabolights 520 study. The study is currently private and will be published once the paper has been submitted.

Description

This container bundles frequently used tools in Ecological Metabolomics. The following R libraries are included in this container:

• RColorBrewer
• Hmisc
• gplots
• multcomp
• multtest (Bioconductor)
• rgl
• mixOmics
• vegan
• ape
• pvclust
• dendextend
• cba
• nlme

Workflow

The Galaxy workflow for the Metabolights 520 study is currently work-in-progress.

Key features

• Processing LC/MS and GC/MS data
• Processing ecological data
• Multivariate statistics
• Multifactorial statistics

Approaches

• Metabolomics / Untargeted
• Ecology

Instrument Data Types

• MS / LC-MS
• MS / GC-MS

Container Contributors

• Kristian Peters (IPB-Halle)

Website

TODO: Study will be submitted to Nature Scientific Data.

Git Repository

• https://github.com/phnmnl/container-ecomet

Publications

TODO: Cite study which will be submitted to Nature Scientific Data.