Metabolomics - CERM

Data analysis - approach
Classify NMR spectrum based on its
inherent patterns of peaks
Identify spectral features responsible
for the classification (according to
physiological or pathological status)
NMR spectral data processing
Prepare NMR data for multivariate
modeling:
Spectral binning: spectra divided
into regions whose areas are
summed to extract peak intensities
Results in a data matrix:
Rows = samples/observations
Columns= variables (for example,
normalized peak intensities of
defined bins)