PMID- 21949273
OWN - NLM
STAT- MEDLINE
DCOM- 20120313
LR  - 20181201
IS  - 1367-4811 (Electronic)
IS  - 1367-4803 (Linking)
VI  - 27
IP  - 22
DP  - 2011 Nov 15
TI  - ISPyB: an information management system for synchrotron macromolecular 
      crystallography.
PG  - 3186-92
LID - 10.1093/bioinformatics/btr535 [doi]
AB  - MOTIVATION: Individual research groups now analyze thousands of samples per year 
      at synchrotron macromolecular crystallography (MX) resources. The efficient 
      management of experimental data is thus essential if the best possible 
      experiments are to be performed and the best possible data used in downstream 
      processes in structure determination pipelines. Information System for Protein 
      crystallography Beamlines (ISPyB), a Laboratory Information Management System 
      (LIMS) with an underlying data model allowing for the integration of analyses 
      down-stream of the data collection experiment was developed to facilitate such 
      data management. RESULTS: ISPyB is now a multisite, generic LIMS for 
      synchrotron-based MX experiments. Its initial functionality has been enhanced to 
      include improved sample tracking and reporting of experimental protocols, the 
      direct ranking of the diffraction characteristics of individual samples and the 
      archiving of raw data and results from ancillary experiments and post-experiment 
      data processing protocols. This latter feature paves the way for ISPyB to play a 
      central role in future macromolecular structure solution pipelines and validates 
      the application of the approach used in ISPyB to other experimental techniques, 
      such as biological solution Small Angle X-ray Scattering and spectroscopy, which 
      have similar sample tracking and data handling requirements.
FAU - Delageniere, Solange
AU  - Delageniere S
AD  - European Synchrotron Radiation Facility, 38043 Grenoble, France.
FAU - Brenchereau, Patrice
AU  - Brenchereau P
FAU - Launer, Ludovic
AU  - Launer L
FAU - Ashton, Alun W
AU  - Ashton AW
FAU - Leal, Ricardo
AU  - Leal R
FAU - Veyrier, Stephanie
AU  - Veyrier S
FAU - Gabadinho, Jose
AU  - Gabadinho J
FAU - Gordon, Elspeth J
AU  - Gordon EJ
FAU - Jones, Samuel D
AU  - Jones SD
FAU - Levik, Karl Erik
AU  - Levik KE
FAU - McSweeney, Sean M
AU  - McSweeney SM
FAU - Monaco, Stephanie
AU  - Monaco S
FAU - Nanao, Max
AU  - Nanao M
FAU - Spruce, Darren
AU  - Spruce D
FAU - Svensson, Olof
AU  - Svensson O
FAU - Walsh, Martin A
AU  - Walsh MA
FAU - Leonard, Gordon A
AU  - Leonard GA
LA  - eng
GR  - Biotechnology and Biological Sciences Research Council/United Kingdom
GR  - Medical Research Council/United Kingdom
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20110924
PL  - England
TA  - Bioinformatics
JT  - Bioinformatics (Oxford, England)
JID - 9808944
RN  - 0 (Macromolecular Substances)
RN  - 0 (Proteins)
SB  - IM
MH  - Crystallography, X-Ray/instrumentation/*methods
MH  - Data Collection
MH  - Macromolecular Substances/chemistry
MH  - *Management Information Systems
MH  - Proteins/*chemistry
MH  - *Synchrotrons
MH  - X-Ray Diffraction
EDAT- 2011/09/29 06:00
MHDA- 2012/03/14 06:00
CRDT- 2011/09/28 06:00
PHST- 2011/09/28 06:00 [entrez]
PHST- 2011/09/29 06:00 [pubmed]
PHST- 2012/03/14 06:00 [medline]
AID - btr535 [pii]
AID - 10.1093/bioinformatics/btr535 [doi]
PST - ppublish
SO  - Bioinformatics. 2011 Nov 15;27(22):3186-92. doi: 10.1093/bioinformatics/btr535. 
      Epub 2011 Sep 24.