Method for factor analysis of GC/MS data

Patent Number: 8,266,197
Issued: 9/11/2012
Official Filing: View the Complete Patent
Abstract: 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.
Filed: 4/5/2010
Application Number: 12/754,041
Government Interests: STATEMENT OF GOVERNMENT INTEREST This invention was made with Government support under Contract No. DE-NA0003525 awarded by the United States Department of Energy/National Nuclear Security Administration. The Government has certain rights in the invention.