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Updated: Feb 14, 2026

Correlative Microscopy for 3D Structural Analysis of Dynamic Interactions
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Round robin on structure analysis from 3D electron diffraction data.

Mauro Gemmi1, Lukáš Palatinus2, Philippe Boullay3

  • 1Electron Crystallography, Center for Materials Interfaces, Istituto Italiano di Tecnologia, Viale Rinaldo Piaggio 34, Pontedera, Italy.

Iucrj
|February 13, 2026
PubMed
Summary
This summary is machine-generated.

This study validates three-dimensional electron diffraction (3D ED) accuracy across multiple labs. Results show high precision for 3D ED structure determination in both inorganic and organic materials.

Keywords:
3D EDdynamical refinementelectron diffractionelectron microscopy

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Area of Science:

  • Crystallography
  • Materials Science
  • Electron Microscopy

Background:

  • Three-dimensional electron diffraction (3D ED) has advanced significantly.
  • The technique's accuracy and reproducibility across different laboratories remain untested.

Purpose of the Study:

  • To assess the accuracy and reproducibility of 3D ED.
  • To evaluate 3D ED performance on diverse sample types (inorganic and organic) across multiple institutions.

Main Methods:

  • A round-robin experiment involving seven laboratories using 3D ED.
  • Testing on two inorganic and one organic test structure.
  • Utilizing various transmission electron microscopes, acceleration voltages, methodologies, and detectors.

Main Results:

  • 3D ED demonstrated remarkable accuracy, with atomic position errors around 0.05 Å for inorganic and 0.15 Å for organic samples (kinematical refinement).
  • Dynamical refinement further enhanced accuracy, reducing R factors and improving structural models.
  • Hydrogen atom positions and absolute structure determination were achieved for both sample types.

Conclusions:

  • 3D ED is a highly accurate and reproducible technique for crystal structure determination.
  • Dynamical refinement is a robust method for improving accuracy and obtaining detailed structural information.
  • The study validates 3D ED for analyzing both inorganic and beam-sensitive organic materials.