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Chemometrics: Data Analysis for the Laboratory and Chemical Plant

ISBN: 978-0-471-48978-8
504 pages
April 2003
Chemometrics: Data Analysis for the Laboratory and Chemical Plant (0471489786) cover image

Description

This book is aimed at the large number of people who need to use chemometrics but do not wish to understand complex mathematics, therefore it offers a comprehensive examination of the field of chemometrics without overwhelming the reader with complex mathematics.

* Includes five chapters that cover the basic principles of chemometrics analysis.
* Provides two chapters on the use of Excel and MATLAB for chemometrics analysis.
* Contains 70 worked problems so that readers can gain a practical understanding of the use of chemometrics.

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Table of Contents

Preface.

Supplementary Information.

Acknowledgements.

1. INTRODUCTION.

Points of View.

Software and Calculations.

Further Reading.

References.

2. EXPERIMENTAL DESIGN.

Introduction.

Basic Principles.

Factorial Designs.

Central Composite or Response Surface Designs.

Mixture Designs.

Simplex Optimisation.

Problems.

3. SIGNAL PROCESSING.

Sequential Signals in Chemistry.

Basics.

Linear Filters.

Correlograms and Time Series Analysis.

Fourier Transform Techniques.

Topical Methods.

Problems.

4. PATTERN RECOGNITION.

Introduction.

The Concept and Need for Principal Components Analysis.

Principal Components Analysis: the Method.

Unsupervised Pattern Recognition: Cluster Analysis.

Supervised Pattern Recognition.

Multiway Pattern Recognition.

Problems.

5. CALIBRATION.

Introduction.

Univariate Calibration.

Multiple Linear Regression.

Principal Components Regression.

Partial Least Squares.

Model Validation.

Problems.

6. EVOLUTIONARY SIGNALS.

Introduction.

Exploratory Data Analysis and Preprocessing.

Determining Composition.

Resolution.

Problems.

Appendices

A.1 Vectors and Matrices.

A.2 Algorithms.

A.3 Basic Statistical Concepts.

A.4 Excel for Chemometrics.

A.5 Matlab for Chemometrics.

Index

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The Wiley Advantage

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Reviews

"Statisticians, chemical engineers, and computing scientists will find this book valuable and useful." (Journal of Statistical Computation and Simulation, November 2005)

"In short, this is the best book that I have seen covering the entire field of modern chemometrics both for the academic and industrial user...I highly recommend it." (Technometrics, Vol. 46, No. 1, February 2004)

"...a useful introductory overview of a wide range of chemometric techniques..." (Organic Process Research & Development)

"...a pleasure to read this clear description of such a broad and complex area...worth its price..." (Zeitschrift fur Physikalische Chemie, Vol 218(2), 2004)

"...good job of explaining the nuts and bolts...recommend this book to anyone who wants to spend the time learning..." (Canadian Society of Forensic Science Journal, Vol 37(2), June 2004)

""...offers a comprehensive, practice-orientated examination of the field without overwhelming the reader with complex mathematics." (Metrohmm Information, Vol.33, No.3, 2004)

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