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Method for factor analysis of GC/MS data

United States Patent

8,266,197
September 11, 2012
View the Complete Patent at the US Patent & Trademark Office
Sandia National Laboratories - Visit the Intellectual Property Management and Licensing Website
The method of the present invention provides a fast, robust, and automated multivariate statistical analysis of gas chromatography/mass spectroscopy (GC/MS) data sets. The method can involve systematic elimination of undesired, saturated peak masses to yield data that follow a linear, additive model. The cleaned data can then be subjected to a combination of PCA and orthogonal factor rotation followed by refinement with MCR-ALS to yield highly interpretable results.
Van Benthem; Mark H. (Albuquerque, NM), Kotula; Paul G. (Albuquerque, NM), Keenan; Michael R. (Wolcott, NY)
Sandia Corporation (Albuquerque, NM)
12/ 754,041
April 5, 2010
STATEMENT OF GOVERNMENT INTEREST This invention was made with Government support under contract no. DE-AC04-94AL85000 awarded by the U.S. Department of Energy to Sandia Corporation. The invention was made with the support of the U.S. Department of Homeland Security through interagency agreement no. HSHQDC-10-00041 with the U.S. Department of Energy. The Government has certain rights in the invention.