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Title: Hybrid least squares multivariate spectral analysis methods

Abstract

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 estimation 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 classical least squares analysis 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.

Inventors:
 [1]
  1. (Albuquerque, NM)
Issue Date:
Research Org.:
SANDIA CORP
OSTI Identifier:
874212
Patent Number(s):
6341257
Assignee:
Sandia Corporation (Albuquerque, NM) SNL
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Patent
Country of Publication:
United States
Language:
English
Subject:
hybrid; squares; multivariate; spectral; analysis; methods; set; shapes; components; effects; original; calibration; step; added; following; estimation; improve; accuracy; amount; sampled; mixture; method; means; combination; initial; classical; subsequent; inverse; shape; normally; non-calibrated; chemical; component; sample; mean; sources; variation; including; temperature; drift; shifts; spectrometers; spectrometer; etc; continuous; discontinuous; discrete; illustrative; effect; analysis method; /702/703/

Citation Formats

Haaland, David M. Hybrid least squares multivariate spectral analysis methods. United States: N. p., 2002. Web.
Haaland, David M. Hybrid least squares multivariate spectral analysis methods. United States.
Haaland, David M. Tue . "Hybrid least squares multivariate spectral analysis methods". United States. https://www.osti.gov/servlets/purl/874212.
@article{osti_874212,
title = {Hybrid least squares multivariate spectral analysis methods},
author = {Haaland, David M.},
abstractNote = {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 estimation 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 classical least squares analysis 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.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2002},
month = {1}
}

Patent:

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