21–27 Sept 2026
EuXFEL Lighthouse
Europe/Berlin timezone

Single crystal diffraction data reduction with OpenHKL

22 Sept 2026, 18:15
1h 45m
EuXFEL Lighthouse

EuXFEL Lighthouse

Poster Data Reduction Poster Session & Reception

Speaker

Zamaan Raza (Forschungszentrum Jülich)

Description

OpenHKL is software for the reduction of single crystal diffraction data, written in C++ and with a modern Qt graphical interface. Given a sequence of diffraction images captured at incremented sample rotation angles, it produces a list of indexed peaks with integrated intensities. It is open-source, has a Python scripting interface, and natively handles neutron diffraction data. Developed at the Heinz-Meier Leibnitz institute (MLZ), it will handle data reduction for the BioDiff, HEIDI and POLI diffractometers, and can be easily extended to other instruments with different data collections strategies and detector geometries.

Author

Zamaan Raza (Forschungszentrum Jülich)

Co-authors

Dr Andreas Ostermann (Technical University of Munich) Dr Leonie Stödter (Forschungszentrum Jülich) Dr Martin Meven (Forschungszentrum Jülich) Dr Tobias Schrader (Forschungszentrum Jülich)

Presentation materials

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