Here are resources I have found useful in my own work using X-Ray Absorption Spectroscopy (XAS). You will find information for both XANES and EXAFS.
— Principle Component Analysis, Target Transformation, Linear Combination Fitting for XAS data
Keywords: XAS, shell fitting, Athena, Artemis, Demeter, FEFF, IFEFFIT, spectroscopy, Extended X-ray Absorption Fine Structure Spectroscopy, EXAFS, XAFS, SSSA, soil chemistry, environmental geochemistry