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Mapping X-Ray Absorption Spectroscopy Standards to CDIF

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The purpose of the CDIF-4-XAS project is to demonstrate that the Cross-Domain Interoperability Framework (CDIF) can function as a practical set of recommendations for an interoperability layer that will facilitate the aggregation and integration of XAS data for various research purposes.

The project’s second deliverable presents an overview document and a set of mappings from XAS community standards (XDI and NXxas) to CDIF.

CDIF-4-XAS: Mappings from Community Standards to CDIF https://doi.org/10.5281/zenodo.17421917 
 
GitHub Repository: https://github.com/CDIF-4-XAS/XAS-CDIF 

The covering document and the associated spreadsheet and other materials present an initial attempt to take the major community standards used for X-Ray Absorption Spectroscopy (XAS) and map them to the standards recommended for cross-domain FAIR sharing of data by the Cross Domain Interoperability Framework (CDIF) guidelines. The current standards landscape within the XAS community has been extensively described in the document “Overview of X-Ray Absorption Spectroscopy standards, vocabularies (and ontologies), data formats and practices”. This document builds on the analysis presented in that document as a concrete exploration of how the data and metadata from the two most common XAS standards can be expressed in a CDIF-described package to facilitate use across domain, institutional, and application boundaries. It is felt that a concrete application of the standards and guidelines involved will clearly indicate the next steps for implementation.

While the focus of this document is technical, there are also implications for how other activities by domain groups and standards bodies can most effectively be conducted. These implications can be provided as feedback to various groups, and these will be mentioned here. The specific recommendations to be made to such groups do not, however, form part of this deliverable, but will be formulated more completely in other project deliverables in the future.

The full package comprises the following:

  1. “CDIF-4-XAS: Mappings from Community Standards to CDIF”: this document provides an overview for the mapping exercise. (CDIF4XAS_Mappings_Intro_V1-FINAL_TEMPLATE.pdf
  2. XAFS Data Interchange (XDI) Format Mapping to CDIF: this document shows how the different metadata fields in an XDI file are mapped into Schema.org per the CDIF recommendations. (XDISpec-FieldsCDIF-Schema.orgMapping.docx)
  3. Example of XDI metadata in CDIF: This is a JSON-LD file formatted according to the CDIF recommendations, containing an example of XDI metadata (se_na2so4-testschemaorg-cdiv3.jsonLD)
  4. Input XDI file: this is the XDI file used as the basis of the JSON-LD exammple in 3. (se_na2so4_rt.xdi)
  5. Mapping Spreadsheet for HDF5/NeXus/NXxas: This spreadsheet describes the mapping from HDF5 files created according to the NXxas profile of NeXus to CDIF-recommended standards. (XAS-CDIFImplementation.xlsx)
  6. XAS Glossary Spreadsheet: this spreadsheet provides definitions and other information for a draft community glossary to support this mapping exercise (XAS_Glossary.xslx)
  7. XAS Glossary in SKOS: this files provides a machine-actionable version of the community glossary, to serve as an example of how the glossary could be published for FAIR purposes. (XAS_Glossary_SKOS.json)

The package fulfills ‘D2: Semantic description of at least two XAS community standards using a CDIF profile (XAS-CDIF)’ of the OSCARS-funded project CDIF-4-XAS.