X-Ray Absorption Spectroscopy
Guidelines for Publication of X-Ray Absorption Spectroscopic Data
1.0 - Publication of X-ray absorption spectroscopy work
3.0 Data analysis
Background subtraction/normalization procedure and the analysis program should be given. XAFS analysis should employ spherical or curved wave theories using single or multiple scattering contributions as appropriate. Relevant input values for the XAFS codes used should be mentioned. If experimental references are used for phase shifts and backscattering amplitudes details about weighting, k-range and R-range of the forward and inverse FT should be given. Information about the structure and homogeneity of the reference compounds must be presented.
Statistical analysis should provide the k-range, goodness of fit, standard deviations on refined parameters and an assessment of systematic errors. Care should be taken to test the statistical significance of the model given in the final fit, and consider the effects of parameter correlation; results should be compared with those on crystalline models where possible.
