Crystal structure refinement using Bloch-wave method for precession electron diffraction
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Updated: Jul 17, 2026

Microcrystallography of Protein Crystals and In Cellulo Diffraction
Published on: July 21, 2017
A P Dudka1, A S Avilov, S Nicolopoulos
1Institute of Crystallography of Russian Academy of Sciences, Leninsky prosprect 59, Moscow 119333, Russia.
Abstract:
Procedure for crystal structure refinement using precession electron diffraction data and Bloch-wave method for accounting multibeam scattering is described. Refinement procedure takes into account features of precession geometry. Refining model consists of structural and reduced parameters determining dynamic diffraction. Difference between measured and calculated dynamic intensities of reflections is minimized with application of a nonlinear least squares method. As test example we used Si single nanocrystals. The influence of the reduced parameters on the quality of the obtained model is discussed. Refinement procedure is a part of ASTRA software.
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