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Howard Mark, Principles and Practice of Spectroscopic Calibration (Chemical Analysis — A Series of Monographs on Analytical Chemistry and its Applications, Vol. 118)
Vibrational Spectroscopy,
331
3 (1992) 331
Elsevier Science Publishers B.V., Amsterdam
BOOK REVIEW Howard Mark, Principles and Practice of Spectroscopic Calibration (Chemical Analysis - A Series of Monographs on Analytical Chemistry and its Applications, Vol. 1181, J.D. Winefordner and I.M. Kolthoff (Eds.), Wiley, New York, 1991 (ISBN O-471-54614-3). 170 pp. These monographs deal with a range of specialized topics in chemical analysis. The present volume is concerned with an important aspect of quantitative spectroscopic analysis which, to my knowledge, has not been treated in a similar manner elsewhere. It should be noted at the outset that the title may be misleading in that this manual is not a compendium of source references to tables of calibration wavelengths and wavenumbers. It deals rather with the application of statistical theory to the formulation of calibration equations for quantitative analysis. Its main purpose is to describe and explain the difficulties and potential errors in formulating analytical working curves. In this it is applicable to all ranges of spectroscopy from the ultraviolet to the infrared. The various sections and chapters deal with such topics as principal component calibration, partial least squares calibration and Fourier transform calibration. Within this statistical framework it discusses the significance of odd data points that fall outside the main data stream C‘outliers”), non-linear lack of fit and the significance of physical and other non-optical extraneous phenomena. The author takes pains to emphasize that these sophisticated mathematical
treatments of the data do not cure the underlying faults; they only mask their symptoms. The author’s own special field is near infrared spectroscopy and involves particularly reflectance analysis of solids. This generates data which are notably susceptible to the spread of data points effected by repack, particle size and other extraneous factors affecting the sample preparation. Most of his discussion has general application, but he does deal in a rather peremptory fashion with systematic deviations from Beer’s law. He points out only that these can be handled by the same techniques as apply in other circumstances in which a logarithmic parameter is invoked, as for example the Kubelka-Munk function in reflectance spectrophotometry. In a discussion of the introduction of non-optical parameters, such as temperature, pressure or density into the calibration equation he offers the timely warning that this can have a restricting effect on the application of the analytical procedure. The slim book is well produced, and’ profusely illustrated with graphical figures demonstrating the various points raised. It is clearly directed to the professional analyst rather than the academic spectroscopist. The latter however would do well to guide a copy in the direction of his computer programmer. R. Norman Jones National Research Council of Canada Winnipeg (Canada)
331
3 (1992) 331
Elsevier Science Publishers B.V., Amsterdam
BOOK REVIEW Howard Mark, Principles and Practice of Spectroscopic Calibration (Chemical Analysis - A Series of Monographs on Analytical Chemistry and its Applications, Vol. 1181, J.D. Winefordner and I.M. Kolthoff (Eds.), Wiley, New York, 1991 (ISBN O-471-54614-3). 170 pp. These monographs deal with a range of specialized topics in chemical analysis. The present volume is concerned with an important aspect of quantitative spectroscopic analysis which, to my knowledge, has not been treated in a similar manner elsewhere. It should be noted at the outset that the title may be misleading in that this manual is not a compendium of source references to tables of calibration wavelengths and wavenumbers. It deals rather with the application of statistical theory to the formulation of calibration equations for quantitative analysis. Its main purpose is to describe and explain the difficulties and potential errors in formulating analytical working curves. In this it is applicable to all ranges of spectroscopy from the ultraviolet to the infrared. The various sections and chapters deal with such topics as principal component calibration, partial least squares calibration and Fourier transform calibration. Within this statistical framework it discusses the significance of odd data points that fall outside the main data stream C‘outliers”), non-linear lack of fit and the significance of physical and other non-optical extraneous phenomena. The author takes pains to emphasize that these sophisticated mathematical
treatments of the data do not cure the underlying faults; they only mask their symptoms. The author’s own special field is near infrared spectroscopy and involves particularly reflectance analysis of solids. This generates data which are notably susceptible to the spread of data points effected by repack, particle size and other extraneous factors affecting the sample preparation. Most of his discussion has general application, but he does deal in a rather peremptory fashion with systematic deviations from Beer’s law. He points out only that these can be handled by the same techniques as apply in other circumstances in which a logarithmic parameter is invoked, as for example the Kubelka-Munk function in reflectance spectrophotometry. In a discussion of the introduction of non-optical parameters, such as temperature, pressure or density into the calibration equation he offers the timely warning that this can have a restricting effect on the application of the analytical procedure. The slim book is well produced, and’ profusely illustrated with graphical figures demonstrating the various points raised. It is clearly directed to the professional analyst rather than the academic spectroscopist. The latter however would do well to guide a copy in the direction of his computer programmer. R. Norman Jones National Research Council of Canada Winnipeg (Canada)