ABSTRACT

This chapter is meant to be a practical introduction to the use of the method of least squares, which is important for the following chapters. This method is indeed extremely important to analyze a spectrum or to determine a structure. This chapter is not intended to be comprehensive. In particular, the proofs for the theorems have been omitted. The method of least squares can be automated, but it is nevertheless important to understand the details of what is done and how it is done in order to do it correctly. This method has already been reviewed with an emphasis on structure determination [1] and on analysis of spectra [2]. In this chapter, we follow

2.1 Introduction ....................................................................................................29 2.2 Ordinary Least-Squares Method ....................................................................30