By Bernard G. M. Vandeginste (auth.)
Content material: Chemometrics / B.G.M. Vandeginste -- Chemometrics : sampling concepts / G. Kateman -- sign and information research in chromatography / H.C. Smit, E.J. v.d. Heuvel -- Chemometrics in nutrition chemistry / M. Forina, S. Lanteri, C. Armanino -- Species identity for hint inorganic parts in organic fabrics / P.H.E. Gardiner
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Persson and S. Wold, Anal. Chem. 55, 645 (1983). Reproduced by permission o f the American Chemical Society, W a s h i n g t o n D C 36 Chemometrics -- General Introduction and Historical Development thus: D = A " V d + E d C = B • Vc + E c D: C: V d: V c: (NS x N W ) matrix o f the measurements (NS x N A ) matrix o f the concentrations ( N C x N W ) matrix o f PLS loadings o f the matrix D ( N C x N A ) matrix o f PLS loadings o f the matrix C A = B : (NS x NC) matrix o f factor scores N A : number o f analytes N C : number o f c o m p o u n d s A detailed description o f the PLS matrix decomposition can be found in 85~ The concentrations o f the analytes in an u n k n o w n sample are found from its spectrum d u, by C u = du • (V~ "Vc).
Davidson, E. : ibid. 52, 1071 (1980) 105. , Malinowski, E. : J. Chromatogr. Sci. 21, 229 (1983) 106. Warner, I. , Christian, G. , Davidson, E. R. : Anal. Chem. 43, 564 (1977) 107. Hershberger, L. , Callis, J. , Christian, G. D. : ibid. 53, 971 (1981) 108. Appellof, C. J. and Davidson, E. : ibid. 53, 2053 (1981) 109. Appelof, C. , Davidson, E. R. : Anal. Chim. Acta 146, 9 (1983) 110. , Naes, T. : Trends Anal. Chem. 3 (8), 204 (1984) 41 Bernard G. M. Vandeginste l 11. , Martens, H. : ibid. 3 (10), 266 (1984) 112.
61 8 References . . . . . . . . . . . . . . . 61 Sampling strategies depend on the type of the object to be sampled, the objective of the principal and the means that are available for analysis. Taking into account the properties of the object, optimal sampling schemes can be developed for particulate material and internally correlated objects (fluids, gases and soil). Depending on the objective these schemes are aimed at information optimization, cost minimization or optimal information for control.