Chirality and accurate structure models by exploiting dynamical effects in continuous-rotation 3D ED data

23 November 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Dynamical diffraction effects are usually considered a nuisance for structure analysis from continuous-rotation 3D electron diffraction (3D ED) data like cRED and MicroED. Here we demonstrate that by accounting for these effects during the structure refinement, significantly improved models can be obtained in terms of accuracy and reliability with up to four-fold reduction of the noise level in difference Fourier maps in comparison to the standard structure determination routines that ignore dynamical diffraction. As dynamical diffraction effects break the inversion symmetry of the diffraction, they allow a quick, easy, and reliable determination of the absolute structure of chiral crystals.


electron diffraction
dynamical diffraction
dynamical refinement
absolute structure

Supplementary materials

Supplementary material
Includes Materials and methods, Supplementary text, figures S1-S19, Tables S1-S23.


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