STOCSY

STOCSY

STOCSY(target,X,ppm,varargin)

Plots correlation/covariance projection of NMR spectrum to target chemical shift or response vector

Graphical representation: NA

Known bugs:

Typical next steps: you might look into peaks with high signal and decide what to do next.

Tags: Feature extraction, Univariate-Statistics, Compound-ID

References:

Statistical Total Correlation Spectroscopy:  An Exploratory Approach for Latent Biomarker Identification from Metabolic 1H NMR Data Sets. Olivier Cloarec, Marc-Emmanuel Dumas, Andrew Craig, Richard H. Barton, Johan Trygg, Jane Hudson, Christine Blancher, Dominique Gauguier, John C. Lindon, Elaine Holmes and, and Jeremy Nicholson. Analytical Chemistry 2005 77 (5), 1282-1289 DOI: 10.1021/ac048630x