Crystallographic Metadata Simon Coles CrystalGrid Collaboratory Foundation Meeting September 2004.

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Presentation transcript:

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

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