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Related Experiment Video

Updated: May 14, 2026

A Robust Single-Particle Cryo-Electron Microscopy (cryo-EM) Processing Workflow with cryoSPARC, RELION, and Scipion
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A Robust Single-Particle Cryo-Electron Microscopy (cryo-EM) Processing Workflow with cryoSPARC, RELION, and Scipion

Published on: January 31, 2022

Structure refinement from precession electron diffraction data.

Lukáš Palatinus1, Damien Jacob, Priscille Cuvillier

  • 1Institute of Physics of the AS CR, v.v.i., Na Slovance 2, 182 21 Prague, Czech Republic. palat@fzu.cz

Acta Crystallographica. Section A, Foundations of Crystallography
|February 14, 2013
PubMed
Summary
This summary is machine-generated.

Precession electron diffraction, using dynamical theory, enables accurate crystal structure refinement for small crystals. This method refines atomic occupancies and improves accuracy compared to conventional electron diffraction techniques.

Keywords:
dynamical diffractionorthopyroxeneprecession electron diffractionsite occupancy

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Single Particle Cryo-Electron Microscopy: From Sample to Structure
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Single Particle Cryo-Electron Microscopy: From Sample to Structure

Published on: May 29, 2021

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Last Updated: May 14, 2026

A Robust Single-Particle Cryo-Electron Microscopy (cryo-EM) Processing Workflow with cryoSPARC, RELION, and Scipion
13:43

A Robust Single-Particle Cryo-Electron Microscopy (cryo-EM) Processing Workflow with cryoSPARC, RELION, and Scipion

Published on: January 31, 2022

Single Particle Cryo-Electron Microscopy: From Sample to Structure
11:52

Single Particle Cryo-Electron Microscopy: From Sample to Structure

Published on: May 29, 2021

Area of Science:

  • Crystallography
  • Materials Science
  • Electron Microscopy

Background:

  • Electron diffraction is crucial for analyzing small crystal structures.
  • Precession electron diffraction (PED) is effective for ab initio structure solution.

Purpose of the Study:

  • To demonstrate the utility of PED data for crystal structure refinement.
  • To compare dynamical theory refinement with kinematical and two-beam approximations.

Main Methods:

  • Utilizing precession electron diffraction data.
  • Applying dynamical theory for calculating diffracted intensities.
  • Refining crystal structures of silicon, orthopyroxene, and gallium-indium tin oxide.

Main Results:

  • Successfully refined crystal structures using PED data and dynamical theory.
  • Achieved high accuracy in refining atomic occupancies of mixed crystallographic sites.
  • Demonstrated superior results compared to kinematical and two-beam approximations, with lower figures of merit and reduced parameter correlations.

Conclusions:

  • Precession electron diffraction data, when analyzed with dynamical theory, is a powerful tool for accurate crystal structure refinement.
  • This method offers significant advantages over conventional electron diffraction, including improved accuracy and broader convergence radii.
  • The technique approaches the accuracy of X-ray and neutron diffraction methods for site occupancy refinement.