Practical Guide To Chemometrics: 2nd Edition (Hardback) book cover

Practical Guide To Chemometrics

2nd Edition

Edited by Paul Gemperline

CRC Press

552 pages

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pub: 2006-04-16
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Description

The limited coverage of data analysis and statistics offered in most undergraduate and graduate analytical chemistry courses is usually focused on practical aspects of univariate methods. Drawing in real-world examples, Practical Guide to Chemometrics, Second Edition offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems using analytical chemistry and statistics.

Rather than overshadowing the concepts with theoretical background, this book uses application-oriented examples to illustrate how chemometrics techniques can be applied to complex scenarios with multiple and dynamic variables. The book presents a diverse selection of topics that include sampling, modeling, experimental design, calibration, pattern recognition, data analysis techniques, algorithms, and error. This second edition has been completely revised to feature new chapters on principal component analysis, self-modeling curve resolution, and multi-way analysis methods. It includes expanded material on normal distributions, sampling theory, signal processing, and digital filtering.

Embracing the growing role of chemometrics in some of the latest research trends, such as quantitative biology, bioinformatics, and proteomics, this book also identifies several areas for future development and applications. Practical Guide to Chemometrics, Second Edition continues to offer a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analyzing scientific data.

Reviews

“Chemometrics is an interdisciplinary field that combines statistics, mathematical methods, computer science and analytical chemistry to solve multivariate problems of data analysis. … this book is a reliable source of useful information for all students, professionals, and researchers involved in analyzing scientific data.”

— John F. Kennedy, Agnieszka Kaczmarek, Chembiotech Laboratories, Institute of Research and Development, University of Birmingham Research Park, UK, in International Journal of Biological Macromolecules, No.41, 2007

“… offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems using analytical chemistry and statistics. … this book uses application-oriented examples to illustrate how chemometrics techniques can be applied to complex scenarios with multiple and dynamic variables. … Numerous worked examples using MATLAB® code are offered, to illustrate how easily these techniques can be adapted to various experimental scenarios. … The book presents a diverse selection of topics that include sampling, modeling, experimental design, calibration, pattern recognition, data-analysis techniques, algorithms, and error. This second edition has been completely revised… It also includes expanded material on normal distributions, sampling theory, signal processing, and digital filtering. Each chapter includes a summary, solutions to problems, recommended reading, and key references for the applications and methods introduced. … continues to offer a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analyzing scientific data. In summary, the aim of the book is to illustrate chemometric methods through practical examples in a style that makes the material accessible to a broad audience of non-experts. ”

— J Albaigés, Editor in Chief, Department of Environment Chemistry CID-CSIC, Barcelona, Spain, in International Journal Of Environmental Analytical Chemistry, Vol. 86, 2006

“… offers an accessible introduction to application oriented-multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems suing analytical chemistry and statistics.” The book “builds on fundamental concepts to reach advanced topics in chemometrics”. … in the 520 pages of text there is likely to be an answer to your chemometrics question. As a single book this does well to cover so much ground. I certainly recommend it for any library or laboratory bookshelf.”

— D. Brynn Hibbert, School of Chemistry, University of New South Wales, Sydney, Australia, in Chemometrics and Intelligent Laboratory Systems, March 2007

Table of Contents

Introduction to Chemometrics; P.J. Gemperline

Statistical Evaluation of Data; A. D. Walmsley

Sampling Theory, Distribution Functions, and the Multivariate Normal Distribution; P.J. Gemperline and J.H. Kalivas

Principal Component Analysis; P.J. Gemperline

Calibration; J.H. Kalivas and P.J. Gemperline

Robust Calibration; M. Hubert

Kinetic Modeling of Multivariate Measurements with Nonlinear Regression; M.  Maeder and Yorck-Michael Neuhold

Response-Surface Modeling and Experimental Design; K. Stoyanov and A.D. Walmsley

Classification and Pattern Recognition; B.K. Lavine and C.E. Davidson

Signal Processing and Digital Filtering; S.D. Brown

Multivariate Curve Resolution; R. Tauler and A. de Juan

Three-Way Calibration with Hyphenated Data; K.S. Booksh

Future Trends in Chemometrics; P.J. Gemperline

Index

Subject Categories

BISAC Subject Codes/Headings:
MAT029000
MATHEMATICS / Probability & Statistics / General
SCI013010
SCIENCE / Chemistry / Analytic
SCI013060
SCIENCE / Chemistry / Industrial & Technical