What question did this study set out to answer?

The aim is to evaluate the current state of XAFS databases and highlight recent developments and challenges in their maintenance.

April 19, 2026Open Access

XAS databases and repositories – perspective and current status

Key Points

The aim is to evaluate the current state of XAFS databases and highlight recent developments and challenges in their maintenance.
Discussion of recent activities from Q2XAFS 2023 workshop
Analysis of existing XAFS databases and their features
Description of the MDR XAFS database from Japan and RefXAS database from Germany
Examination of challenges in database sustainability and user engagement
Summary of key features of existing XAFS databases
Identification of challenges including metadata standardization and sample curation
Highlighting user feedback mechanisms for database improvement

Abstract

X-ray absorption fine structure (XAFS) methods are widely used, and there is a strong demand to establish well-maintained and reliable XAFS databases. Several XAFS databases have been independently developed based on different requirements of the XAS users’ community. These databases mainly consist of XAS data of references or standard samples from dedicated beamlines at synchrotron facilities available to the individuals or group involved in their development. In the present paper, we report the recent activities regarding the development of XAS databases as presented and discussed during Q2XAFS 2023 workshop held at the Australian Synchrotron in Melbourne (Australia). The features of already existing XAS databases are briefly discussed and summarized. The important components and features of two recently developed XAS databases – MDR XAFS database from Japan and RefXAS database under DAPHNE4NFDI from Germany are described. We report on the recent activities and status of these databases. We further discuss the general challenges of developing such databases, including sustainability, metadata structure, sample identification, curation, user feedback and standardization of data formats.

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