摘要: In analytical chemistry, calibration is the procedure that relates instrumental measurements to an analyte of interest. Typically, are obtained from specimens in which amount (or level) has been determined by some independent and inherently accurate assay (e.g., wet chemistry). Together, results assays used construct a model level measurements. The advent high-speed digital computers greatly increased data acquisition analysis capabilities provided chemist with opportunities use many - perhaps hundreds for calibrating instrument absorbances at multiple wave-lengths). To take advantage this technology, however, new methods (i.e., multivariate methods) were needed analyzing modeling experimental data. purpose report introduce several evolving present important issues regarding their use. 30 refs., 7 figs.
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sci-hub.se 参考文章(15)
Tormod Næs, Tomas Isaksson, Selection of Samples for Calibration in Near-Infrared Spectroscopy. Part I: General Principles Illustrated by Example: Applied Spectroscopy. ,vol. 43, pp. 328- 335 ,(1989) , 10.1366/0003702894203129
Chris W. Brown, Patricia F. Lynch, Robert J. Obremski, Donald S. Lavery, Matrix representations and criteria for selecting analytical wavelengths for multicomponent spectroscopic analysis Analytical Chemistry. ,vol. 54, pp. 1472- 1479 ,(1982) , 10.1021/AC00246A007
Gary W. Small, Mark A. Arnold, Lois A. Marquardt, Strategies for coupling digital filtering with partial least-squares regression: Application to the determination of glucose in plasma by Fourier-transform near-infrared spectroscopy Analytical Chemistry. ,vol. 65, pp. 3279- 3289 ,(1993) , 10.1021/AC00070A019
R. G. Krutchkoff, Classical and Inverse Regression Methods of Calibration Technometrics. ,vol. 9, pp. 425- 439 ,(1967) , 10.1080/00401706.1967.10490486
Tomas Isaksson, Tormod Næs, The Effect of Multiplicative Scatter Correction (MSC) and Linearity Improvement in NIR Spectroscopy Applied Spectroscopy. ,vol. 42, pp. 1273- 1284 ,(1988) , 10.1366/0003702884429869
Edward V. Thomas, David M. Haaland, COMPARISON OF MULTIVARIATE CALIBRATION METHODS FOR QUANTITATIVE SPECTRAL ANALYSIS Analytical Chemistry. ,vol. 62, pp. 1091- 1099 ,(1990) , 10.1021/AC00209A024
David M. Haaland, Quantitative infrared analysis of borophosphosilicate films using multivariate statistical methods Analytical Chemistry. ,vol. 60, pp. 1208- 1217 ,(1988) , 10.1021/AC00162A022
Philip J. Brown, Wavelength selection in multicomponent near-infrared calibration Journal of Chemometrics. ,vol. 6, pp. 151- 161 ,(1992) , 10.1002/CEM.1180060306
Samuel D. Oman, Tormod Naes, Anan Zube, Detecting and adjusting for non-linearities in calibration of near-infrared data using principal components Journal of Chemometrics. ,vol. 7, pp. 195- 212 ,(1993) , 10.1002/CEM.1180070306
Tong-Hua Li, C.B. Lucasius, G. Kateman, Optimization of calibration data with the dynamic genetic algorithm Analytica Chimica Acta. ,vol. 268, pp. 123- 134 ,(1992) , 10.1016/0003-2670(92)85255-5