Metadata and provenance

In addition to representing quantum chemistry data, there is a requirement to be able to represent metadata. This would include data such as the description of the code used to perform a particular calculation along with its version and details of people involved in the computation. The Data Management Group of the CLRC have worked in close collaboration with various scientific groups (such as ISIS, Rutherford Appleton Lab, UK and SRS, Daresbury Laboratory, UK) to develop an XML schema for the representation of general scientific metadata (The CLRC Scientific Metadata Model) (http://www-dienst.rl.ac.uk/library/2002/tr/dltr-2002001.pdf). It is likely that this can be used to fulfil the metadata and provenance requirements of the eCCP1 project, a question that is currently under investigation.

-- PhilipCouch - 08 Nov 2004