Poster Abstract:
Untargeted metabolomics contrasts metabolome-scale analyses of samples without first identifying individual metabolites. Workflow4Metabolomics (W4m) provides a suite of Galaxy tools for untargeted metabolomics including univariate and multivariate statistical tools and tools for preprocessing LC-MS, GC-MS, and NMR spectra. W4m Data Subset (w4mclassfilter) conditions data for statistical analysis by providing:
- feature- and sample-selection;
- metadata-filtering;
- intensity-thresholding;
- log-transformation;
- elimination of zero-variance data;
- imputation of missing values to zero.

We have created four additional tools to simplify or extend the use of W4m in our lab: W4m Data Subset, OPLS-DA Contrasts, Join +/- Ions, and w4mkmeans. We have also "adopted" the Query Tabular tool to further simplify and extend our data workflows. The tools are available in the public Galaxy Toolshed.
We demonstrate how these tools complement W4m with a data-processing workflow assessing the effect of pathogen inoculation on resin-collection by honey bee colonies.