Why do we need a(nother) new data format? A standardized data format for azimuthally integrated area detector data

Many powder X-ray diffraction, total scattering, and small-angle X-ray scattering experiments at synchrotron facilities yield azimuthally integrated intensity data, yet current practice relies on facility-specific data formats that hinder inter-operability and reuse. We propose a standardized HDF5-based format within the NeXus convention (NXazint), designed to store 1D and 2D integrated data along with essential metadata for direct use in analysis software. This approach supports FAIR principles, simplifies handling of large datasets, and promotes compatibility across beamlines and facilities. The format is already implemented at MAX IV, with visualization and powder X-ray diffraction refinement tools available.

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Publication Details

Journal
Journal of Synchrotron Radiation
Published
2026-04-22
DOI
https://doi.org/10.1107/s1600577526004224
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
0.00

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article

Why do we need a(nother) new data format? A standardized data format for azimuthally integrated area detector data

Mads R. V. Jørgensen, M. Yazdi-Rizi, Wout De Nolf, P. J. Bell et al.
Journal of Synchrotron Radiation
X-ray Diffraction in Crystallography
article

Why do we need a(nother) new data format? A standardized data format for azimuthally integrated area detector data

Mads R. V. Jørgensen, M. Yazdi-Rizi, Wout De Nolf, P. J. Bell, Frederik Holm Gjørup, Zdenek Matej
article en

Abstract

Many powder X-ray diffraction, total scattering, and small-angle X-ray scattering experiments at synchrotron facilities yield azimuthally integrated intensity data, yet current practice relies on facility-specific data formats that hinder inter-operability and reuse. We propose a standardized HDF5-based format within the NeXus convention (NXazint), designed to store 1D and 2D integrated data along with essential metadata for direct use in analysis software. This approach supports FAIR principles, simplifies handling of large datasets, and promotes compatibility across beamlines and facilities. The format is already implemented at MAX IV, with visualization and powder X-ray diffraction refinement tools available.

Journal of Synchrotron RadiationVol. 33(3)
Lund University (SE), Aarhus University (DK), European Synchrotron Radiation Facility (FR), MAX IV Laboratory (SE)
VINNOVA, Svenska Forskningsrådet Formas, Vetenskapsrådet
Industry, innovation and infrastructure
Openalex Percentile: Top 19%
X-ray Diffraction in Crystallography
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Why do we need a(nother) new data format? A standardized data format for azimuthally integrated area detector data — Mads R. V. Jørgensen, M. Yazdi-Rizi, et al. · Journal of Synchrotron Radiation (2026) | TGRS Research Map | TGRS