1. Crystallographic Metadata Simon Coles CrystalGrid Collaboratory Foundation Meeting September 2004

2. What is metadata? Where does crystallographic metadata come from? How can we capture this metadata? What can we actually use metadata for?

3. What is metadata? Data describing data

4. Metadata standards: Dublin Core About 15 core elements

5. The CCLRC Scientific Metadata Model Aims to provide a high-level generic model, which can be specialized to specific scientific disciplines Each facility or data centre has its own metadata catalogue Provides a given set of common information allowing interaction and interchange Supports development of a data portal

6. Customised metadata schemas

7. Where does crystallographic metadata come from?

8. Synthesis Lab

9. Submission forms

10. Crystal Selection

11. Data Collection

12. Data Workup

13. Publication

14. How do we capture this metadata?

15. Make a plan!

16. Smart Labs

17. Electronic Sample Submission

18. Crystallographic Smart Lab INSERT POLARISING MOVIE

19. Data Collection Metadata

21. Solution, Refinement & Publication Need to understand the workflow From a workflow we can build a schema RAW DATADERIVED DATARESULTS DATA

22. Solution, Refinement & Publication

24. Using Metadata Archiving: Raw, derived and results data retrieval Search and discovery (crystallography & chemistry) Publishing and provenance tracking