CDIF-4-XAS: Describing X-Ray Spectroscopy Data for Cross-Domain Use

CDIF-4-XAS: OSCARS Project on Interoperability
Authors: Abraham Nieva de la Hidalga, Arofan Gregory, Heike Goerzig, Leandro Liborio,
Markus Kubin, Patrick Austin, Rolf Krahl, Simon Hodson, Vyacheslav Tykhonov

X-ray Absorption Spectroscopy (XAS) research has expanded to become a set of widely used scientific
methods with applications across Physics, Chemistry, Surface Science, Nanoscale Science, Biology, and
Environmental and Earth Sciences. Over time, various scientific communities, research facilities, device
providers, and software developers have created different formats and applications to store XAS data
and describe it with metadata. These custom data formats are very often developed ad-hoc they serve
their immediate needs and they are integrated with local workflows but they are not easily integrated
or interoperable outside their immediate usage. While some standards such as XAFS Data Interchange
(XDI) format and NeXus HDF5 format have been developed, add-hoc formats are a widely implemented
and practical interoperability across the full range of systems has yet to be realized. This project looks
at using the WorldFAIR Cross-Domain Interoperability Framework (CDIF), in combination with existing
domain standards and ontologies, to show that real interoperability can be achieved. CDIF utilizes
common cross-domain standards such as Schema.org, SKOS, and DDI-CDI to support FAIR exchange of
data. The project includes drafting the CDIF profile and mappings from existing standards, and
implementation of CDIF tools and workflows inside the EOSC Galaxy infrastructure, including the use of
generative AI to enhance metadata capture. This presentation will present the profile and mappings and
discuss how this approach may be applied to other use cases. We will also discuss and demo the
implementation in Galaxy and the wider applicability of these solutions.