Grid-enabling an existing instrument-based national service
Grid-enabling an existing instrument-based national service
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).
Crystalography, Grid, Instrument
0769524486
570-577
Coles, S.
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Frey, Jeremy G.
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Peppe, Sam
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Hursthouse, Mike
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Light, Mark
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Surridge, Mike
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Meacham, Ken
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Mills, Hugo
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De Roure, Dave
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Smith, Graham
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Zaluska, Ed
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5 December 2005
Coles, S.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Peppe, Sam
3997705b-714a-4532-9de0-8ca3c78f4fe2
Hursthouse, Mike
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Light, Mark
cf57314e-6856-491b-a8d2-2dffc452e161
Surridge, Mike
3bd360fa-1962-4992-bb16-12fc4dd7d9a9
Meacham, Ken
3d0e5c6b-8a98-4f2f-be51-aef0dad61fa5
Mills, Hugo
58a54bca-8a1b-4655-ada1-a32e286651bc
De Roure, Dave
02879140-3508-4db9-a7f4-d114421375da
Smith, Graham
f490019c-fdee-473a-bf9b-62be5505a206
Zaluska, Ed
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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 instrument-based national service.
Stockinger, Heinz, Buyya, Rajkumar and Perrott, Ron
(eds.)
In Proceedings e-Science and Grid Computing 2005.
vol. 1st,
IEEE Computer Society.
.
Record type:
Conference or Workshop Item
(Paper)
Abstract
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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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, , Melbourne, Australia, 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
Catalogue record
Date deposited: 22 Mar 2006
Last modified: 26 Aug 2024 01:32
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Contributors
Author:
Sam Peppe
Author:
Mike Surridge
Author:
Ken Meacham
Author:
Hugo Mills
Author:
Dave De Roure
Author:
Graham Smith
Author:
Ed Zaluska
Editor:
Heinz Stockinger
Editor:
Rajkumar Buyya
Editor:
Ron Perrott
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