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Grid-Enabling an Existing Instument-Based National Service

Record type: Conference or Workshop Item (Paper)

Recent work by the ‘CombeChem’ project together with the UK National Crystallography Service (NCS) has integrated the NCS into a Grid environment. The existing high-throughput crystallography facility is enhanced by on-line feedback with the ability to monitor and steer diffraction experiments remotely. Grid-based security mechanisms are used to determine authorisation attributes and hence to allow user interaction at appropriate stages, together with access of a database recording the status of the submitted samples. The user can monitor the position of their samples, be alerted to all stages from submission to experiment and then analysis, visualise raw data as it is generated, be involved in the key decision-making during the parameterisation and initialization of the experiment and then track the data collection to ensure its successful completion. Results data are staged to a secure area and made available for download (either the raw diffraction data or a refined structure generated by NCS staff).

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Citation

Coles, S, Frey, Jeremy G., Peppe, Sam, Hursthouse, Mike, Light, Mark, Surridge, Mike, Meacham, Ken, Mills, Hugo, De Roure, Dave, Smith, Graham and Zaluska, Ed, (2005) Grid-Enabling an Existing Instument-Based National Service Stockinger, Heinz, Buyya, Rajkumar and Perrott, Ron (eds.) In Proceedings e-Science and Grid Computing 2005. vol. 1st, IEEE Computer Society. 8 pp, pp. 570-577.

More information

Published date: 5 December 2005
Additional Information: CombeChem Project Output
Venue - Dates: Workshop on Scientific Instrments and Sensors on the Grid, e-Science and Grid Computing, 2005-12-05 - 2005-12-05
Keywords: Crystalography, Grid, Instrument

Identifiers

Local EPrints ID: 24099
URI: http://eprints.soton.ac.uk/id/eprint/24099
ISBN: 0769524486
PURE UUID: 5a6d83bc-5dba-47d8-8aea-1cc9eb540f6b
ORCID for S Coles: ORCID iD orcid.org/0000-0001-8414-9272
ORCID for Jeremy G. Frey: ORCID iD orcid.org/0000-0003-0842-4302
ORCID for Mark Light: ORCID iD orcid.org/0000-0002-0585-0843
ORCID for Dave De Roure: ORCID iD orcid.org/0000-0001-9074-3016

Catalogue record

Date deposited: 22 Mar 2006
Last modified: 17 Jul 2017 16:14

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Contributors

Author: S Coles ORCID iD
Author: Jeremy G. Frey ORCID iD
Author: Sam Peppe
Author: Mike Hursthouse
Author: Mark Light ORCID iD
Author: Mike Surridge
Author: Ken Meacham
Author: Hugo Mills
Author: Dave De Roure ORCID iD
Author: Graham Smith
Author: Ed Zaluska
Editor: Heinz Stockinger
Editor: Rajkumar Buyya
Editor: Ron Perrott

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