ABSTRACT

This chapter explores the two major families of chemometric quantitative calibration techniques that are most commonly employed: the Multiple Linear Regression techniques, and the Factor-Based Techniques. It reviews the various methods commonly employed, learn how to develop and test calibrations, and how to use the calibrations to estimate, or predict, the properties of unknown samples. The chemometric techniques excel at extracting useful information from very subtle differences in the data. Some instruments and measurement techniques excel at destroying these subtle differences, thereby removing all traces of the needed information. Chemometrics, in the most general sense, is the art of processing data with various numerical techniques in order to extract useful information. Many in the field of analytical chemistry have found it difficult to apply chemometrics to their work. The chapter considers the advantages and limitations of each method as well as some of the tricks and pitfalls associated with their use.