ISSN:
0886-9383
Keywords:
Multivariate calibration
;
Singular value decomposition
;
Regression diagnostics
;
Collinearity
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Care is required for multicomponent analysis if misleading results are to be avoided. The problem of ill-conditioned calibration matrices is of primary concern. This type of numerical instability is represented as spectral overlap of calibration spectra. Depending on the degree of spectral overlap, the sample concentration estimates can be severely affected. A practical statistical procedure is discussed which tests for the presence of spectral overlap among the pure-component spectra and simultaneously assesses the degree that concentration estimates may be degraded. Guidelines are developed to ascertain how much departure from spectral orthogonality is acceptable.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/cem.1180030208
