Patent ID: 7835872
Filing Date: 2010-11-16
Classification: G01N,G01R

Abstract:
1. A method for the deconvolution of an Nuclear Magnetic Resonance Spectroscopy spectrum of a chemical mixture comprising the steps of: obtaining a two-dimensional total correlation spectroscopy spectrum of a chemical mixture; performing covariance processing on the two-dimensional total correlation spectroscopy spectrum to determine a matrix square root of the covariance spectrum (C); evaluating similarity or overlap of each row vector (c calculating an importance index (vector P with elements P identifying a subset of rows of interest by applying standard peak picking to the importance index (P); clustering the subset of rows of interest to identify a unique set of spin systems and compounds; displaying the unique set of spin systems and compounds as corresponding traces of the covariance matrix to create a final set of magnitude traces; and identifying and assigning each individual component of the chemical mixture from the final set of magnitude traces, wherein the steps are performed by a Nuclear Magnetic Resonance System operatively coupled with a means for deconvolution of the two-dimensional total correlation spectroscopy spectrum.