Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography Metadata

Title

• Main Title Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography

Creator

• Author: Gonzalez, Ana
  Creator Type: Personal
• Author: Gonzalez, Ana
  Creator Type: Personal
• Author: Moorhead, Penjit
  Creator Type: Personal
• Author: McPhillips, Scott E.
  Creator Type: Personal
• Author: Song, Jinhu
  Creator Type: Personal
• Author: Sharp, Ken
  Creator Type: Personal
• Author: Taylor, John R.
  Creator Type: Personal
• Author: Adams, Paul D.
  Creator Type: Personal
• Author: Sauter, Nicholas K.
  Creator Type: Personal
• Author: Soltis, S. Michael
  Creator Type: Personal

Contributor

• Sponsor: Lawrence Berkeley National Laboratory. Physical Biosciences Division.
  Contributor Type: Organization

Publisher

• Name: Lawrence Berkeley National Laboratory
  Place of Publication: Berkeley, California
  Additional Info: Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (United States)

Date

• Creation: 2007-10-10

Language

• English

Description

• Content Description: New software tools are introduced to facilitate diffraction experiments involving largenumbers of crystals. While existing programs have long provided a framework for lattice indexing, Bragg spot integration, and symmetry determination, these initial data processing steps often require significant manual effort. This limits the timely availability of data analysis needed for high-throughput procedures, including the selection of the best crystals from a large sample pool, and the calculation of optimal data collection parameters to assure complete spot coverage with minimal radiation damage. To make these protocols more efficient, we developed a network of software applications and application servers, collectively known as Web-Ice. When the package is installed at a crystallography beamline, a programming interface allows the beamline control software (e.g., Blu-Ice / DCSS) to trigger data analysis automatically. Results are organized based on a list of samples that the user provides, and are examined within a Web page, accessible both locally at the beamline or remotely. Optional programming interfaces permit the user tocontrol data acquisition through the Web browser. The system as a whole is implemented to support multiple users and multiple processors, and can be expanded to provide additional scientific functionality. Web-Ice has a distributed architecture consisting of several stand-alone software components working together via a well defined interface. Other synchrotrons or institutions may integrate selected components or the whole of Web-Ice with their own data acquisition software. Updated information about current developments may be obtained at http://smb.slac.stanford.edu/research/developments/webice.
• Physical Description: 31

Subject

• Keyword: Data Analysis
• Keyword: Programming
• STI Subject Categories: 59
• Keyword: Symmetry
• Keyword: Data Processing
• Keyword: Diffraction
• Keyword: Data Acquisition
• Keyword: Automation High-Throughput
• Keyword: Synchrotrons Automation High-Throughput
• Keyword: Architecture
• Keyword: Radiations
• Keyword: Crystallography
• Keyword: Availability

Source

• Journal Name: Journal of Applied Crystallography; Journal Volume: 41; Journal Issue: 1; Related Information: Journal Publication Date: February 2008

Collection

• Name: Office of Scientific & Technical Information Technical Reports
  Code: OSTI

Institution

• Name: UNT Libraries Government Documents Department
  Code: UNTGD

Resource Type

• Article

Format

• Text

Identifier

• Report No.: LBNL-452E
• Grant Number: DE-AC02-05CH11231
• Office of Scientific & Technical Information Report Number: 934703
• Archival Resource Key: ark:/67531/metadc901066