Constrained and Restrained Refinement in EXAFS Data Analysis with Curved Wave Theory

This paper describes methods of constrained and restrained refinement of EXAFS data which provide a means of substantially reducing the number of independent parameters compared to conventional least squares methods commonly used. Constrained refinement allows a major reduction in the number of free parameters for a refinement of a structural model. In restrained refinement, additional structural information from well characterised small molecules is used to provide additional observations in the data analysis.