Speaker
Description
BESSY II operates more than fifty beamlines supporting a broad range of experimental techniques across diverse scientific fields. With unique undulators, world-record photon energy resolution (e.g., <1 meV at 60 eV), femtosecond time resolution, and nanometer-scale spatial precision, the facility enables highly demanding experiments. These increasingly include operando and multimodal techniques that monitor samples and processes in real time. Meeting these requirements makes robust, reproducible, and interoperable data lifecycle management essential.
In this work, we present XAS round-robin studies initiated at the mySpot multimodal beamline of BESSY II. MySpot is a multi-modal beamline designed to perform different techniques—XRD, SAXS, XRF, EXAFS, and XANES—simultaneously at the sample position. Round-robin studies are widely used across scientific disciplines to ensure quality control, identify cross-platform inconsistencies, and advance understanding of experimental systems, systematic effects, and theoretical limitations. By comparing raw and processed spectra across BESSY II beamlines, the study aims to identify systematic differences in energy calibration, spectral amplitudes, and data-processing workflows.
Technically, at the heart of this work is NeXus, an interoperable data format; pynxools, a data converter for making experimental data FAIR though NeXus; nx5d for fine-grained management of data analysis parameters; and EWOKS, an extensible workflow management system. Preliminary results on automating data-evaluation tasks using these tools will be presented.
