High-throughput electron diffraction in the XtaLAB Synergy-ED

TL;DR

This paper discusses how high-throughput electron diffraction enables detailed analysis of multiple crystals quickly and efficiently.

Contribution

The paper introduces high-throughput workflows in the XtaLAB Synergy-ED for advanced crystallographic investigations.

Findings

High-throughput workflows allow analysis of powders with mixtures or contaminants.

Data from dozens to hundreds of crystals can be collected rapidly.

The method is suitable for complex cases where only small samples are available.

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.