Toy datasets for GTN materials about Metabolomics data processing
Description
These are the datasets needed for the GTN tutorial about Data processing of Metabolomics MS-based data.
The dataMatrix and corresponding sampleMetadata files are simulated data, specially created from scratch for the GTN tutorial.
The variableMetadata file's columns of m/z and rt characteristics have been filled with values picked from a table obtained by an extraction process of some untargetted MS raw files. MS raw files used are from https://zenodo.org/record/3757956; extraction was performed using XCMS with parameters that might not be optimal.