Grid-Enabling an Existing Instument-Based National Service

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. In, Stockinger, Heinz, Buyya, Rajkumar and Perrott, Ron (eds.) Proceedings e-Science and Grid Computing 2005. Workshop on Scientific Instrments and Sensors on the Grid, e-Science and Grid Computing USA, IEEE Computer Society, 570-577. (e-Science and Grid Computing, 1st 1).


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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).

Item Type: Book Section
Additional Information: CombeChem Project Output
ISBNs: 0769524486 (hardback)
Keywords: Crystalography, Grid, Instrument,
Subjects: Q Science > QA Mathematics > QA75 Electronic computers. Computer science
Divisions : University Structure - Pre August 2011 > School of Electronics and Computer Science
University Structure - Pre August 2011 > School of Chemistry
ePrint ID: 24099
Accepted Date and Publication Date:
5 December 2005Published
Date Deposited: 22 Mar 2006
Last Modified: 31 Mar 2016 11:45
The Crystal Grid Network
Funded by: EPSRC (EP/C007271/1)
1 April 2005 to 31 December 2006

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