The Metabolomics Benchmark Dataset

This page provides access to the Metabolomics Benchmark Dataset (MBD) comprising IR spectra for a clearly defined artificial metabolomics model to facilitate the development of factorisation methods for metabolic profiling using infrared spectroscopy.
Please read the Readme.txt first. The dataset then consists of the following files:
MBDRaw IR spectra, MBD (tar.gz)
MBDRaw IR spectra, MBD (zip)
CompoundsRaw IR spectra, single compounds
DefinitionsSample definitions
PreprocessedPreprocessed MBD
Complete resultsWavelet accuracies for each wavelet

Contact:

Carsten Henneges