Simulation of X-ray diffraction profiles for bent anisotropic crystals

Author:

Sanchez del Rio Manuel,Perez-Bocanegra Nicolas,Shi Xianbo,Honkimäki Veijo,Zhang Lin

Abstract

The equations for calculating diffraction profiles for bent crystals are revisited for both meridional and sagittal bending. Two approximated methods for computing diffraction profiles are treated: multilamellar and Penning–Polder. A common treatment of crystal anisotropy is included in these models. The formulation presented is implemented in theXOPpackage, completing and updating the crystal module that simulates diffraction profiles for perfect, mosaic and now distorted crystals by elastic bending.

Publisher

International Union of Crystallography (IUCr)

Subject

General Biochemistry, Genetics and Molecular Biology

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