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Chemometrics from basick to wavelet transform - Chau F.T

Chemometrics from basick to wavelet transform - Chau F.T

Chemometrics from basick to wavelet transform

Author: Chau F.T
Publishers: Wiley publishing
Year of publication: 2004
Number of pages: 333
ISBN 0-471-20242-8
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Download: chemometricsfrombasics2004.pdf

Chemical Analysis: A Series of Monographs on Analytical Chemistry and Its Applications J. D. Winefordner. Series Editor
Chemometrics
From Basics to Wavelet Transform
Foo-tim Chau, Yi-zeng Liang, Junbin Gao, Xue-guang Shao
Chemometrics
From Basics to Wavelet Transform
FOO-TIM CHAU
Hong Kong Polytechnic University
YI-ZENG LIANG
Central South University
JUNBIN GAO
University of New England
XUE-GUANG SHAO
University of Science and Technology of China
WI LEY-1NTERSC1ENCE
A John Wiley & Sons, Inc., Publication
Chemometrics
CHEMICAL ANALYSIS
A SERIES OF MONOGRAPHS ON ANALYTICAL CHEMISTRY AND ITS APPLICATIONS
Edited by J. D. WINEFORDNER
VOLUME 164
Chemometrics
From Basics to Wavelet Transform
FOO-TIM CHAU
Hong Kong Polytechnic University
YI-ZENG LIANG
Central South University
JUNBIN GAO
University of New England
XUE-GUANG SHAO
University of Science and Technology of China
® WI LEY- INTERSCIENCE
A John Wiley & Sons, Inc., Publication
Copyright © 2004 by John Wiley & Sons, Inc. All rights reserved.
Published by John Wiley & Sons, Inc., Hoboken, New Jersey.
Published simultaneously in Canada.
No part of this publication may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, recording, scanning, or otherwise, except as permitted under Section 107 or 108 of the 1976 United States Copyright Act, without either the prior written permission of the Publisher, or authorization through payment of the appropriate per-copy fee to the Copyright Clearance Center, Inc., 222 Rosewood Drive, Danvers, MA 01923, 978-750-8400, fax 978-646-8600, or on the web at www.copyright.com. Requests to the Publisher for permission should be addressed to the Permissions Department, John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030, (201) 748-6011, fax (201) 748-6008.
Limit of Liability/Disclaimer of Warranty: While the publisher and author have used their best efforts in preparing this book, they make no representations or warranties with respect to the accuracy or completeness of the contents of this book and specifically disclaim any implied warranties of merchantability or fitness for a particular purpose. No warranty may be created or extended by sales representatives or written sales materials. The advice and strategies contained herein may not be suitable for your situation. You should consult with a professional where appropriate. Neither the publisher nor author shall be liable for any loss of profit or any other commercial damages, including but not limited to special, incidental, consequential, or other damages.
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Library of Congress Cataloging-in-Publication Data:
Chemometrics: from basics to wavelet transform/Foo-tim Chau ... [et al.].
p. cm. — (Chemical analysis; 1075)
Includes bibliographical references.
ISBN 0-471-20242-8 (acid-free paper)
1. Instrumental analysis—Data processing. 2. Instrumental analysis—Automation.
3. Wavelets (Mathematics) I. Chau, Foo-tim. II. Chemical analysis; v. 1075.
QD79.I5C44 2004 543'.07'0285—dc21
2003002429
Printed in the United States of America. 10 987654321
CONTENTS
PREFACE xiii
CHAPTER 1 INTRODUCTION 1
1.1. Modern Analytical Chemistry 1
1.1.1. Developments in Modern Chemistry 1
1.1.2. Modern Analytical Chemistry 2
1.1.3. Multidimensional Dataset 3
1.2. Chemometrics 5
1.2.1. Introduction to Chemometrics 5
1.2.2. Instrumental Response and Data Processing 8
1.2.3. White, Black, and Gray Systems 9
1.3. Chemometrics-Based Signal Processing Techniques 10
1.3.1. Common Methods for Processing Chemical Data 10
1.3.2. Wavelets in Chemistry 11
1.4. Resources Available on Chemometrics and Wavelet Transform 12
1.4.1. Books 12
1.4.2. Online Resources 14
1.4.3. Mathematics Software 15
CHAPTER 2 ONE-DIMENSIONAL SIGNAL PROCESSING
TECHNIQUES IN CHEMISTRY 23
2.1. Digital Smoothing and Filtering Methods 23
2.1.1. Moving-Window Average Smoothing Method 24
2.1.2. Savitsky-Golay Filter 25
v
vi
contents
2.1.3. Kalman Filtering
2.1.4. Spline Smoothing
2.2. Transformation Methods of Analytical Signals
2.2.1. Physical Meaning of the Convolution Algorithm
2.2.2. Multichannel Advantage in Spectroscopy and Hadamard Transformation
2.2.3. Fourier Transformation
2.2.3.1. Discrete Fourier Transformation and Spectral Multiplex Advantage
2.2.3.2. Fast Fourier Transformation
2.2.3.3. Fourier Transformation as Applied to Smooth Analytical Signals
2.2.3.4. Fourier Transformation as Applied to Convolution and Deconvolution
2.3. Numerical Differentiation
2.3.1. Simple Difference Method
2.3.2. Moving-Window Polynomial Least-Squares Fitting Method
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