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Updated: Aug 10, 2025

Combining X-Ray Crystallography with Small Angle X-Ray Scattering to Model Unstructured Regions of Nsa1 from S. Cerevisiae
Published on: January 10, 2018
Combining reverse Monte Carlo analysis of X-ray scattering and extended X-ray absorption fine structure spectra of
Markus Winterer1, Jeremias Geiß1
1Nanoparticle Process Technology and CENIDE (Center for Nanointegration Duisburg-Essen), University of Duisburg-Essen, Lotharstrasse 1, 47057 Duisberg, Germany.
Abstract:
Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO3 with diameters below 10 nm to simultaneously analyse X-ray scattering data and extended X-ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long-range order.
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