05085nam 2200625Ia 450 991083013600332120230105004256.01-280-83864-797866108386460-470-05778-50-470-05777-7(CKB)1000000000357333(EBL)291263(OCoLC)476049464(SSID)ssj0000104666(PQKBManifestationID)11130419(PQKBTitleCode)TC0000104666(PQKBWorkID)10086729(PQKB)10060743(MiAaPQ)EBC291263(EXLCZ)99100000000035733320060914d2007 uy 0engur|n|---|||||txtccrApplied chemometrics for scientists[electronic resource] /Richard G. BreretonChichester, England ;Hoboken, NJ John Wiley & Sonsc20071 online resource (397 p.)Description based upon print version of record.0-470-01686-8 Includes bibliographical references and index.Applied Chemometrics for Scientists; Contents; Preface; 1 Introduction; 1.1 Development of Chemometrics; 1.1.1 Early Developments; 1.1.2 1980s and the Borderlines between Other Disciplines; 1.1.3 1990s and Problems of Intermediate Complexity; 1.1.4 Current Developments in Complex Problem Solving; 1.2 Application Areas; 1.3 How to Use this Book; 1.4 Literature and Other Sources of Information; References; 2 Experimental Design; 2.1 Why Design Experiments in Chemistry?; 2.2 Degrees of Freedom and Sources of Error; 2.3 Analysis of Variance and Interpretation of Errors2.4 Matrices, Vectors and the Pseudoinverse2.5 Design Matrices; 2.6 Factorial Designs; 2.6.1 Extending the Number of Factors; 2.6.2 Extending the Number of Levels; 2.7 An Example of a Factorial Design; 2.8 Fractional Factorial Designs; 2.9 Plackett-Burman and Taguchi Designs; 2.10 The Application of a Plackett-Burman Design to the Screening of Factors Influencing a Chemical Reaction; 2.11 Central Composite Designs; 2.12 Mixture Designs; 2.12.1 Simplex Centroid Designs; 2.12.2 Simplex Lattice Designs; 2.12.3 Constrained Mixture Designs2.13 A Four Component Mixture Design Used to Study Blending of Olive Oils2.14 Simplex Optimization; 2.15 Leverage and Confidence in Models; 2.16 Designs for Multivariate Calibration; References; 3 Statistical Concepts; 3.1 Statistics for Chemists; 3.2 Errors; 3.2.1 Sampling Errors; 3.2.2 Sample Preparation Errors; 3.2.3 Instrumental Noise; 3.2.4 Sources of Error; 3.3 Describing Data; 3.3.1 Descriptive Statistics; 3.3.2 Graphical Presentation; 3.3.3 Covariance and Correlation Coefficient; 3.4 The Normal Distribution; 3.4.1 Error Distributions; 3.4.2 Normal Distribution Functions and Tables3.4.3 Applications3.5 Is a Distribution Normal?; 3.5.1 Cumulative Frequency; 3.5.2 Kolmogorov-Smirnov Test; 3.5.3 Consequences; 3.6 Hypothesis Tests; 3.7 Comparison of Means: the t-Test; 3.8 F-Test for Comparison of Variances; 3.9 Confidence in Linear Regression; 3.9.1 Linear Calibration; 3.9.2 Example; 3.9.3 Confidence of Prediction of Parameters; 3.10 More about Confidence; 3.10.1 Confidence in the Mean; 3.10.2 Confidence in the Standard Deviation; 3.11 Consequences of Outliers and How to Deal with Them; 3.12 Detection of Outliers; 3.12.1 Normal Distributions; 3.12.2 Linear Regression3.12.3 Multivariate Calibration3.13 Shewhart Charts; 3.14 More about Control Charts; 3.14.1 Cusum Chart; 3.14.2 Range Chart; 3.14.3 Multivariate Statistical Process Control; References; 4 Sequential Methods; 4.1 Sequential Data; 4.2 Correlograms; 4.2.1 Auto-correlograms; 4.2.2 Cross-correlograms; 4.2.3 Multivariate Correlograms; 4.3 Linear Smoothing Functions and Filters; 4.4 Fourier Transforms; 4.5 Maximum Entropy and Bayesian Methods; 4.5.1 Bayes' Theorem; 4.5.2 Maximum Entropy; 4.5.3 Maximum Entropy and Modelling; 4.6 Fourier Filters; 4.7 Peakshapes in Chromatography and Spectroscopy4.7.1 Principal FeaturesThe book introduces most of the basic tools of chemometrics including experimental design, signal analysis, statistical methods for analytical chemistry and multivariate methods. It then discusses a number of important applications including food chemistry, biological pattern recognition, reaction monitoring, optimisation of processes, medical applications. The book arises from a series of short articles that have been developed over four years on Chemweb (www.chemweb.com).ChemometricsChemistry, AnalyticChemometrics.Chemistry, Analytic.542.30151543.01519535.05bclBrereton Richard G283014MiAaPQMiAaPQMiAaPQBOOK9910830136003321Applied chemometrics for scientists4064930UNINA