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Hybrid least squares multivariate spectral analysis methods

United States Patent

March 23, 2004
View the Complete Patent at the US Patent & Trademark Office
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A set of hybrid least squares multivariate spectral analysis methods in which spectral shapes of components or effects not present in the original calibration step are added in a following prediction or calibration step to improve the accuracy of the estimation of the amount of the original components in the sampled mixture. The hybrid method herein means a combination of an initial calibration step with subsequent analysis by an inverse multivariate analysis method. A spectral shape herein means normally the spectral shape of a non-calibrated chemical component in the sample mixture but can also mean the spectral shapes of other sources of spectral variation, including temperature drift, shifts between spectrometers, spectrometer drift, etc. The shape can be continuous, discontinuous, or even discrete points illustrative of the particular effect.
Haaland; David M. (Albuquerque, NM)
Sandia Corporation (Albuquerque, NM)
10/ 021,817
December 13, 2001
STATEMENT REGARDING FEDERALLY FUNDED RESEARCH This invention was made with Government support under Contract DE-AC04-94AL85000 awarded by the U.S. Department of Energy. The Government has certain rights in the invention.