High-throughput electron diffraction in the XtaLAB Synergy-ED

Microcrystal electron diffraction (MicroED/3D ED), which solves atomic structures from crystals in the sub-micron size range using electron radiation, has evolved from an exploratory technique into a cutting-edge analytical method practiced in laboratories worldwide. However, viewing MicroED solely as an extension of single-crystal diffraction, traditionally performed with X-rays on smaller crystals, underestimates its capabilities. With thousands of crystallites available simultaneously on a sample grid and measurements completed within minutes, we can obtain a more comprehensive view of our specimen by collecting crystallographic data from dozens or even hundreds of crystals. This approach allows for the analysis of powders containing mixtures of compounds, different polymorphs, or even small traces of contaminants, including ab-initio solutions, even in cases too complex for powder diffraction or where only minute sample amounts are available. In this contribution, we will discuss how high-throughput workflows in the Rigaku XtaLAB Synergy-ED electron diffractometer enable various beyond-single-crystal investigations with a high degree of automation and ease of use.

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Publication Details

Journal
Structural Dynamics
Published
2025-09-01
DOI
https://doi.org/10.1063/4.0000861
Primary Topic
Logic, programming, and type systems
Type
article
Field-Weighted Citation Impact
0.00
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article

High-throughput electron diffraction in the XtaLAB Synergy-ED

Structural Dynamics
Logic, programming, and type systems
article

High-throughput electron diffraction in the XtaLAB Synergy-ED

article en

Abstract

Microcrystal electron diffraction (MicroED/3D ED), which solves atomic structures from crystals in the sub-micron size range using electron radiation, has evolved from an exploratory technique into a cutting-edge analytical method practiced in laboratories worldwide. However, viewing MicroED solely as an extension of single-crystal diffraction, traditionally performed with X-rays on smaller crystals, underestimates its capabilities. With thousands of crystallites available simultaneously on a sample grid and measurements completed within minutes, we can obtain a more comprehensive view of our specimen by collecting crystallographic data from dozens or even hundreds of crystals. This approach allows for the analysis of powders containing mixtures of compounds, different polymorphs, or even small traces of contaminants, including ab-initio solutions, even in cases too complex for powder diffraction or where only minute sample amounts are available. In this contribution, we will discuss how high-throughput workflows in the Rigaku XtaLAB Synergy-ED electron diffractometer enable various beyond-single-crystal investigations with a high degree of automation and ease of use.

Structural DynamicsVol. 12(5_Supplement)
Toray International Europe (Germany) (DE), International Centre for Diffraction Data (US), Woodlands Hospital (GB)
Openalex Percentile: Top 23%
Logic, programming, and type systems
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