ABSTRACT
CONTENTS 2.1 Introduction ....................................................................................................................... 47 2.2 Data Collection .................................................................................................................. 48 2.3 Data Display ...................................................................................................................... 49 2.4 Process Monitoring and Quality Control...................................................................... 64 2.5 Three-Way PCA ................................................................................................................ 64 2.6 Classification...................................................................................................................... 65 2.7 Modeling ............................................................................................................................ 69 2.8 Calibration.......................................................................................................................... 70 2.9 Variable Selection.............................................................................................................. 72 2.10 Future Trends .................................................................................................................... 73 2.11 Conclusion: The Advantages and Disadvantages of Chemometrics ....................... 74 References ..................................................................................................................................... 75 Further Readings.......................................................................................................................... 76
In this chapter, the fundamentals of chemometrics will be presented by means of a quick overview of the most relevant techniques for data display, classification, modeling, and calibration. The goal of this chapter is to make people aware of the great superiority of multivariate analysis over the commonly used univariate approach. Mathematical and algorithmical details will not be presented since the chapter is mainly focused on the general problems to which chemometrics can be successfully applied in the field of environmental chemistry.
