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: 12/754041 |
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. |
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