Metabolomics requires several data processing steps involving signal treatment, statistical analysis (with univariate and multivariate methods) and annotation processes. The Metabolomics::FragNot module is addressing the last step of the data analysis workflow.
The first version allowing to : - create a fragment object - compare theoretical and experimental fragments - build a metabolite|contaminant bank object - produce result ouputs
The documentation and the POD should be reworked. The code is under an internal reviewing process.
This module is a part of a future computational toolbox useful for perl developers working in bioinformatics.