LEADER 05315nam 22006374a 450 001 9910841331903321 005 20230617010043.0 010 $a9786610269686 010 $a0-470-66760-5 010 $a0-470-86324-2 010 $a1-280-26968-5 010 $a0-470-84574-0 035 $a(CKB)1000000000355613 035 $a(EBL)158117 035 $a(OCoLC)52613414 035 $a(SSID)ssj0000120641 035 $a(PQKBManifestationID)11134570 035 $a(PQKBTitleCode)TC0000120641 035 $a(PQKBWorkID)10102333 035 $a(PQKB)10034379 035 $a(MiAaPQ)EBC158117 035 $a(EXLCZ)991000000000355613 100 $a20020628d2003 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aChemometrics$b[electronic resource] $edata analysis for the laboratory and chemical plant /$fRichard Brereton 210 $aChichester, West Sussex, England ;$aHoboken, NJ $cWiley$dc2003 215 $a1 online resource (505 p.) 300 $aDescription based upon print version of record. 311 $a0-471-48977-8 311 $a0-471-48978-6 320 $aIncludes bibliographical references (p. 12-13) and index. 327 $aChemometrics; Contents; Preface; Supplementary Information; Acknowledgements; 1 Introduction; 1.1 Points of View; 1.2 Software and Calculations; 1.3 Further Reading; 1.3.1 General; 1.3.2 Specific Areas; 1.3.3 Internet Resources; 1.4 References; 2 Experimental Design; 2.1 Introduction; 2.2 Basic Principles; 2.2.1 Degrees of Freedom; 2.2.2 Analysis of Variance and Comparison of Errors; 2.2.3 Design Matrices and Modelling; 2.2.4 Assessment of Significance; 2.2.5 Leverage and Confidence in Models; 2.3 Factorial Designs; 2.3.1 Full Factorial Designs; 2.3.2 Fractional Factorial Designs 327 $a2.3.3 Plackett-Burman and Taguchi Designs2.3.4 Partial Factorials at Several Levels: Calibration Designs; 2.4 Central Composite or Response Surface Designs; 2.4.1 Setting Up the Design; 2.4.2 Degrees of Freedom; 2.4.3 Axial Points; 2.4.4 Modelling; 2.4.5 Statistical Factors; 2.5 Mixture Designs; 2.5.1 Mixture Space; 2.5.2 Simplex Centroid; 2.5.3 Simplex Lattice; 2.5.4 Constraints; 2.5.5 Process Variables; 2.6 Simplex Optimisation; 2.6.1 Fixed Sized Simplex; 2.6.2 Elaborations; 2.6.3 Modified Simplex; 2.6.4 Limitations; Problems; 3 Signal Processing; 3.1 Sequential Signals in Chemistry 327 $a3.1.1 Environmental and Geological Processes3.1.2 Industrial Process Control; 3.1.3 Chromatograms and Spectra; 3.1.4 Fourier Transforms; 3.1.5 Advanced Methods; 3.2 Basics; 3.2.1 Peakshapes; 3.2.2 Digitisation; 3.2.3 Noise; 3.2.4 Sequential Processes; 3.3 Linear Filters; 3.3.1 Smoothing Functions; 3.3.2 Derivatives; 3.3.3 Convolution; 3.4 Correlograms and Time Series Analysis; 3.4.1 Auto-correlograms; 3.4.2 Cross-correlograms; 3.4.3 Multivariate Correlograms; 3.5 Fourier Transform Techniques; 3.5.1 Fourier Transforms; 3.5.2 Fourier Filters; 3.5.3 Convolution Theorem; 3.6 Topical Methods 327 $a3.6.1 Kalman Filters3.6.2 Wavelet Transforms; 3.6.3 Maximum Entropy (Maxent) and Bayesian Methods; Problems; 4 Pattern Recognition; 4.1 Introduction; 4.1.1 Exploratory Data Analysis; 4.1.2 Unsupervised Pattern Recognition; 4.1.3 Supervised Pattern Recognition; 4.2 The Concept and Need for Principal Components Analysis; 4.2.1 History; 4.2.2 Case Studies; 4.2.3 Multivariate Data Matrices; 4.2.4 Aims of PCA; 4.3 Principal Components Analysis: the Method; 4.3.1 Chemical Factors; 4.3.2 Scores and Loadings; 4.3.3 Rank and Eigenvalues; 4.3.4 Factor Analysis 327 $a4.3.5 Graphical Representation of Scores and Loadings4.3.6 Preprocessing; 4.3.7 Comparing Multivariate Patterns; 4.4 Unsupervised Pattern Recognition: Cluster Analysis; 4.4.1 Similarity; 4.4.2 Linkage; 4.4.3 Next Steps; 4.4.4 Dendrograms; 4.5 Supervised Pattern Recognition; 4.5.1 General Principles; 4.5.2 Discriminant Analysis; 4.5.3 SIMCA; 4.5.4 Discriminant PLS; 4.5.5 K Nearest Neighbours; 4.6 Multiway Pattern Recognition; 4.6.1 Tucker3 Models; 4.6.2 PARAFAC; 4.6.3 Unfolding; Problems; 5 Calibration; 5.1 Introduction; 5.1.1 History and Usage; 5.1.2 Case Study; 5.1.3 Terminology 327 $a5.2 Univariate Calibration 330 $aThis 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. 606 $aChemometrics$xData processing 606 $aChemical processes$xStatistical methods$xData processing 615 0$aChemometrics$xData processing. 615 0$aChemical processes$xStatistical methods$xData processing. 676 $a540.151 676 $a543.0015195 700 $aBrereton$b Richard G$0283014 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910841331903321 996 $aChemometrics$986912 997 $aUNINA