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

Science cluster

PANOSC - Photon and Neutron Science

Summary

The CDIF-4-XAS project - Describing X-Ray Spectroscopy Data for Cross-Domain Use, will enable new science by making it easier to access, combine and reuse XAS data across research infrastructures (RIs) and disciplines. 

CDIF-4-XAS will enhance the interoperability and reusability of XAS data by applying the Cross-Domain Interoperability Framework (CDIF), a set of guidelines and practices for using domain-agnostic standards to support the interoperability and reusability of FAIR data, especially across domain and institutional boundaries. By embracing FAIR principles, the project aims to streamline the sharing of XAS data, thus enabling more efficient data integration across RIs and scientific domains, including life sciences, chemistry, and environmental sciences.

CDIF-4-XAS project image
Research domains:
Photon/neutron sources-based experimental research
Partner(s):
CODATA, Rutherford Appleton Laboratory, STFC UK

Challenge

Open Science project, Open Science Service, Main RI concerned, Cross-domain/Cross-RI

X-ray Absorption Spectroscopy (XAS) data is vital for many fields, but its specialised formats and metadata conventions hinder cross-domain use. Data sharing between applications, databases, and facilities is inefficient, leading to the loss of essential experimental information. With increasing data volumes and interdisciplinary collaborations, the need for a more interoperable solution becomes urgent.

Solution

The Cross-Domain Interoperability Framework (CDIF) addresses these challenges by establishing domain-agnostic standards to support data sharing across institutional and disciplinary boundaries. Through CDIF-4-XAS, metadata and provenance for XAS data are standardised, enhancing the integration of XAS datasets into EOSC infrastructures. This promotes data reuse across different research domains, making XAS data more accessible and valuable.

The main outputs of the project will be:

  1. An overview of standards, vocabularies (and ontologies), data formats and practices within the XAS area;
  2. Semantic descriptions of at least two of these community standards using a CDIF profile (XASCDIF);
  3. Prototype implementations in relation to i) metadata registries and catalogues; ii) input and outputs for XAS tools; and iii) analysis frameworks for the widely-used Galaxy platform within EOSC, with documentation and short summary reports;
  4. Recommendations and guidelines for the use of CDIF for XAS data (XAS-CDIF) and in other domains;
  5. At least two scientific articles submitted to i) a journal for the data stewardship and metadata community, and ii) a journal dealing with data issues in chemistry.

Scientific Impact

Coordinated by CODATA, and involving a number of PaNOSC partners and key infrastructures, CDIF-4-XAS will unlock new possibilities for research by enabling seamless data combination and analysis across RIs. Researchers in energy, chemistry, and environmental sciences, among others, will benefit from easier access to XAS data. By implementing CDIF for XAS data (XAS-CDIF), the project tackles the interoperability and reusability challenges described above, and can better integrate the XAS data into the emerging EOSC infrastructures for cataloguing, integration and analysis. The benefits will be considerable: existing resources will become more available, and it will become easier and more efficient to use data across RIs and in other domains. Finally, XAS data is a key research product in the domain of energy research, thereby representing key strategic developments towards a sustainable future for the global society. XAS is an important characterization method for materials used in these fields and essential for developing new materials.


Keywords
X-ray spectroscopy, XAS, XAS data, Cross-Domain Interoperability Framework, CDIF
Project start date:
Project duration:
24 months

Principal investigator

Simon Hodson
CODATA
BIO

Simon Hodson is Executive Director of CODATA, and an expert on data policy issues and research data stewardship. He was chair of the EC report Turning FAIR into Reality, and vice-chair for the UNESCO Recommendation on Open Science. He was the coordinator of the EC-funded WorldFAIR Project.