Calibration transfer for second order analytical instruments

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73 1R, 2502521, G01N 2101

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active

055597289

ABSTRACT:
A method for calibrating two-dimensional responses measured on multiple instruments or on a single instrument under different operating conditions. The method calculates two separate banded diagonal transformation matrices using the responses of a common standard sample to simultaneously correct for the response channel shift and intensity variations in both dimensions or orders. The two transformational matrices are estimated from a set of simultaneous non-linear equations via the Gauss-Newton method. The effects of noise and transformation matrix bandwidth on the standardization performance were studied through computer simulation. From computer simulation and experimental data, it was found that the design of the standard sample is crucial for the parameter estimations and response standardization.

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Bruce E. Wilson, Eugenio Sanchez and Bruce R. Kowalski, "An Improved Algorithm for the Generalized Rank Annihilation Method," Journal of Chemometrics, vol. 3, 493-498 (1989).
Eugenio Sanchez and Bruce R. Kowalski, "Tensorial Calibration: II. Second-Order Calibration," Journal of Chemometrics, vol. 2, 265-280 (1988).
Eugenio Sanchez and Bruce R. Kowalski, "Tensorial Calibration: I. Second-Order Calibration," Journal of Chemometrics, vol. 2, 247-263 (1988).
Eugenio Sanchez, L. Scott Ramos and Bruce R. Kowalski, Generalized Rank Annihilation Method, "I. Application to Liquid Chromatography-Diode Array Ultraviolet Detection Data," Journal of Chromatography, 385, 151-164 (1987).
L. Scott Ramos, Eugenio Sanchez and Bruce R. Kowalski, Generalized Rank Annihilation Method, "II. Analysis of Bimodal Chromatographic Data," Journal of Chromatography, 385, 165-180 (1987).
Eugenio Sanchez and Bruce R. Kowalski, "Generalized Rank Annihilation Factor Analysis," Analytical Chemistry, vol. 58, No. 2, 496-499 (Feb. 1980).

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