Method for factor analysis of GC/MS data
Patent
·
OSTI ID:1078320
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.
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC04-94AL85000
- Assignee:
- Sandia Corporation (Albuquerque, NM)
- Patent Number(s):
- 8,266,197
- Application Number:
- 12/754,041
- OSTI ID:
- 1078320
- Country of Publication:
- United States
- Language:
- English
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