Chemometrics in Analytical Spectroscopy -- Contents -- Glossary of Terms and Symbols -- Chapter 1 Descriptive Statistics -- 1 Introduction -- 2 Normal Distribution -- Significance Tests -- Analysis of Variance -- Outliers -- 3 Lorentzian Distribution -- 4 Multivariate Data -- Covariance and Correlation -- Multivariate Normal -- 5 Displaying Data -- References -- Chapter 2 Acquisition and Enhancement of Data -- 1 Introduction -- 2 Sampling Theory -- 3 Signal-to-Noise Ratio -- 4 Detection Limits -- 5 Reducing Noise -- Signal Averaging -- Signal Smoothing -- Filtering in the Frequency Domain -- 6 Interpolation -- References -- Chapter 3 Feature Selection and Extraction -- 1 Introduction -- 2 Differentiation -- 3 Integration -- 4 Combining Variables -- Linear Combinations of Variables -- Principal Components Analysis -- Factor Analysis -- References -- Chapter 4 Pattern Recognition I: Unsupervised Analysis -- 1 Introduction -- 2 Choice of Variables -- 3 Measures between Objects -- Similarity Measures -- Distance Measures -- 4 Clustering Techniques -- Hierarchical Techniques -- K-Means Algorithm -- Fuzzy Clustering -- References -- Chapter 5 Pattern Recognition II: Supervised Learning -- 1 Introduction -- 2 Discriminant Functions -- Bayes' Theorem -- Linear Discriminant Function -- 3 Nearest Neighbours -- 4 The Perceptron -- 5 Artificial Neural Networks -- References -- Chapter 6 Calibration and Regression Analysis -- 1 Introduction -- 2 Linear Regression -- Errors and Goodness of Fit -- Regression through the Origin -- 3 Polynomial Regression -- Orthogonal Polynomials -- 4 Multivariate Regression -- Classical Least Squares -- Inverse Least Squares -- Selection of Variables for Regression -- Principal Components Regression -- Partial Least Squares Regression -- Regression Coefficients -- Leverage -- References -- Appendix Matrix Tools and Operations.

Al Introduction -- A2 Simple Matrix Operations -- A3 Matrix Multiplication -- A4 Sums of Squares and Products -- A5 Inverse of a Matrix -- A6 Simultaneous Equations -- A7 Quadratic Form -- Subject Index.