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. |