ArticleIUCrJ2023
Modelling fine-sliced three dimensional electron diffraction data with dynamical Bloch-wave simulations.
Article in IUCrJ, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Electrons and X-rays for diffraction and imaging.Acta crystallographica. Section D, Structural biology · 2026Review
- Article
- Article
- Quantification of enantiomorphs in chiral crystalline powders through three-dimensional electron diffraction.Nature chemistry · 2025Article
- Parameterized absorptive electron scattering factors.Acta crystallographica. Section A, Foundations and advances · 2024Article
- Modelling dynamical 3D electron diffraction intensities. II. The role of inelastic scattering.Acta crystallographica. Section A, Foundations and advances · 2024Article
- Modelling dynamical 3D electron diffraction intensities. I. A scattering cluster algorithm.Acta crystallographica. Section A, Foundations and advances · 2024Article
- Advances and applications of microcrystal electron diffraction (MicroED).Current opinion in structural biology · 2024Review
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Recent interest in structure solution and refinement using electron diffraction (ED) has been fuelled by its inherent advantages when applied to crystals of sub-micrometre size, as well as its better sensitivity to light elements. Currently, data are often processed with software written for X-ray diffraction, using the kinematic theory of diffraction to generate model intensities - despite the inherent differences in diffraction processes in ED. Here, dynamical Bloch-wave simulations are used to model continuous-rotation electron diffraction data, collected with a fine angular resolution (crystal orientations of ∼0.1°). This fine-sliced data allows a re-examination of the corrections applied to ED data. A new method is proposed for optimizing crystal orientation, and the angular range of the incident beam and the varying slew rate are taken into account. Observed integrated intensities are extracted and accurate comparisons are performed with simulations using rocking curves for a (110) lamella of silicon 185 nm thick. R
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