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Improved selectivity in spectroscopy by multivariate calibration (1987)

Martens, Harald ; Karstang, Terje ; Næs, Tormod

New York, NY : Wiley-Blackwell

Journal of Chemometrics 1 (1987), S. 201-219

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ISSN: 0886-9383

Keywords: Multivariate ; Calibration ; PLS ; Regression ; Spectroscopy ; Selectivity ; Outliers ; Chemistry ; Analytical Chemistry and Spectroscopy

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: This paper illustrates some advantages of indirect multivariate calibration over conventional calibration: selectivity enhancement and outlier detection. Partial least squares (PLS) calibration is applied for quantitative analysis in the presence of interferences that would make both conventional single-wavelength calibration and direct multicomponent analysis impossible. The PLS algorithm is illustrated graphically, and the importance of outlier detection is demonstrated.

Additional Material: 9 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cem.1180010403

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