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Related Experiment Video

Updated: Jun 17, 2025

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

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Published on: June 5, 2021

Automated pipeline processing X-ray diffraction data from dynamic compression experiments on the Extreme Conditions

Mikhail Karnevskiy¹, Konstantin Glazyrin¹, Yuelong Yu¹

¹Deutsche Elektronen-Synchrotron DESY Notkestraße 85 22607Hamburg Germany.

Journal of Applied Crystallography

|August 7, 2024

Summary

A new software solution enables rapid X-ray diffraction data analysis for dynamic compression experiments. This pipeline accelerates data processing and visualization, proving invaluable for high-pressure research.

Keywords:

X-ray diffraction analysis batch pipeline processing diamond anvil cells dynamic compression high-performance computing high-pressure studies pipeline data processing visualization

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Area of Science:

Materials Science
Geophysics
Chemistry

Background:

Dynamic compression experiments require rapid analysis of X-ray diffraction data.
Existing methods can be time-consuming, limiting real-time insights.

Purpose of the Study:

To implement a software solution for prompt X-ray diffraction data analysis.
To facilitate efficient data collection, processing, and visualization in dynamic compression studies.

Main Methods:

Developed a data processing pipeline integrating data collection, high-performance cluster (HPC) streaming, and azimuthal data integration.
Utilized the DIOPTAS software package for data control and visualization.
Applied the pipeline to ammonia-water mixtures and multiphase mineral assemblies.

Main Results:

Demonstrated efficient data collection and streaming to an HPC.
Achieved fast azimuthal data integration and visualization.
Successfully analyzed complex high-pressure samples.

Conclusions:

The implemented software pipeline provides invaluable, rapid feedback for dynamic compression X-ray diffraction studies.
The generic design allows adaptation to various X-ray diffraction techniques, including large-volume press and in situ studies.