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Enhancing Research Metadata for Structural Science: Insights from the Nijmegen Workshop

The Nijmegen Workshop on Research Metadata, held on September 7-8, 2010, focused on the critical role of metadata in structural science across disciplines such as chemistry, materials science, and earth science. The workshop provided a platform to discuss core scientific metadata models (CSMD), the lifecycle of experimental data, and the integration of metadata systems like ICAT. Participants explored the principles of data modeling, best practices for data documentation, and future directions for metadata management, emphasizing collaborative frameworks and robust software applications for scientific research.

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Enhancing Research Metadata for Structural Science: Insights from the Nijmegen Workshop

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  1. Metadata for structural scienceWorkshop on research metadata in contextNijmegen, 7–8 September 2010 Simon LambertSTFC e-ScienceUK

  2. Scope: ‘structural science’ • Metadata for scientific studies • ‘Structural science’: chemistry, materials, earth science, … Scale/complexity Discipline Experiments Simulations Analyses Data life cycle Research metadata in context, Nijmegen, 7–8 Sep 2010

  3. Motivation • Diamond Light Source • ISIS • Others Research metadata in context, Nijmegen, 7–8 Sep 2010

  4. Experiment Data Store Data Store Data Data Data Data Motivation Data Data Experiment Metadata Analysis Metadata Metadata Simulation Data 4 Research metadata in context, Nijmegen, 7–8 Sep 2010

  5. Principles • Core Scientific Metadata Model (CSMD) • Study-oriented • Modelling of data holdings • Distinguish logical data holding from data location Research metadata in context, Nijmegen, 7–8 Sep 2010

  6. Principles Topic Publication Keyword Authorisation Investigation Investigator Dataset Sample Sample Parameter Datafile Dataset Parameter Parameter Related Datafile Datafile Parameter Research metadata in context, Nijmegen, 7–8 Sep 2010

  7. Implementation • Modelling scientific activity … • Policy • Programme • Study • Investigations • Experiments • Measurements • Simulations Research metadata in context, Nijmegen, 7–8 Sep 2010

  8. Implementation • … and modelling data holdings • Three layers • Experiment • Logical data • Physical files Research metadata in context, Nijmegen, 7–8 Sep 2010

  9. Use • ICAT: information catalogue collates metadata from different stages of experimental lifecycle • Integrates with systems supporting each stage • Published as web service interface for end-user applications • Web-based client ‘Data Portal’ for browse/search Research metadata in context, Nijmegen, 7–8 Sep 2010

  10. Use ICAT software suite, providing the crucial integration of key functions Research metadata in context, Nijmegen, 7–8 Sep 2010

  11. Use • ICAT may be federated across facilities • Robust software now running at ISIS and Diamond Light Source • Evaluation and potential use at other institutes Research metadata in context, Nijmegen, 7–8 Sep 2010

  12. Development and outlook • Scenarios for integration over scale • Lone researcher • EPSRC National Crystallography Service • Diamond and ISIS Research metadata in context, Nijmegen, 7–8 Sep 2010

  13. Development and outlook • Ontologies, domain-specific vocabularies • Link to publications • Derived and resultant data • Preservation information • Security model In progress: I2S2 information model Research metadata in context, Nijmegen, 7–8 Sep 2010

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