Chemometrics: Data Analysis for the Laboratory and Chemical Plant

The emphasis of this book is on understanding the principles and applications behind the main ideas in chemometrics, which can then be applied to a wide variety of problems in chemistry, chemical engineering and allied disciplines. The chapters cover experimental design, signal processing, pattern r [...]
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The emphasis of this book is on understanding the principles and applications behind the main ideas in chemometrics, which can then be applied to a wide variety of problems in chemistry, chemical engineering and allied disciplines. The chapters cover experimental design, signal processing, pattern recognition, calibration and evolutionary data. The text is based around extensive work examples based primarily on the author's experience of more than a decade in chemometrics research and education both with university students and industrialists. In addition, the problems at the end of each chapter cover a wide range of applications to illustrate the broad applicability of these methods in different fields: these form an important part of the text, being a mixture of real case studies and simulations which are ideal for coursework or self study. For each of these 54 problems, the relevant sections of the text that provide further information are referenced. Appendices on matrix algebra, basic statistical concepts, common algorithms, Excel and MATLAB complete the book. Readers may approach this book with different levels of knowledge and expectations. All calculations, graphs and answers to the worked examples and problems may be produced either in Excel or MATLAB or in most chemometrics packages according to the experience of the reader. Datasets and extensive worked solutions to the problems, together with downloadable Excel macros and a comprehensive set of MATLAB procedures corresponding to the methods presented in the text are available on www.SpectroscopyNow.com. The numerical answers have been very carefully validated and have been extensively tested in student seminars.