International Tables for Crystallography


Bayesian techniques: an overview
Hans J. Krappe, Elizabeta Holub-Krappe, Takehisa Konishi and Hermann H. Rossner. International Tables for Crystallography (2024). Vol. I [ doi:10.1107/S1574870722005511 ]

Abstract

The standard single-scattering formula gives the experimental extended X-ray absorption fine-structure (EXAFS) cross section as function of the wavenumber in terms of a set of model parameters, including the average distances of the atoms involved in producing the EXAFS signal. To solve the inverse problem of determining the model parameters from the cross section, measured over some range of wavenumbers, a Bayesian approach is used. It allows the subspace of the model-parameter space in which the data essentially determine the model parameters to be determined.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.