Crystallographic Metadata Simon Coles CrystalGrid Collaboratory Foundation Meeting September 2004
What is metadata? Where does crystallographic metadata come from? How can we capture this metadata? What can we actually use metadata for?
What is metadata? Data describing data
Metadata standards: Dublin Core About 15 core elements
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
Customised metadata schemas
Where does crystallographic metadata come from?
Synthesis Lab
Submission forms
Crystal Selection
Data Collection
Data Workup
Publication
How do we capture this metadata?
Make a plan!
Smart Labs
Electronic Sample Submission
Crystallographic Smart Lab INSERT POLARISING MOVIE
Data Collection Metadata
Solution, Refinement & Publication Need to understand the workflow From a workflow we can build a schema RAW DATADERIVED DATARESULTS DATA
Solution, Refinement & Publication
Using Metadata Archiving: Raw, derived and results data retrieval Search and discovery (crystallography & chemistry) Publishing and provenance tracking