Robust indexing for automatic data collection

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Description

We present improved methods for indexing diffraction patterns from macromolecular crystals. The novel procedures include a more robust way to verify the position of the incident X-ray beam on the detector, an algorithm to verify that the deduced lattice basis is consistent with the observations, and an alternative approach to identify the metric symmetry of the lattice. These methods help to correct failures commonly experienced during indexing, and increase the overall success rate of the process. Rapid indexing, without the need for visual inspection, will play an important role as beamlines at synchrotron sources prepare for high-throughput automation.

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23 pages

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Sauter, Nicholas K.; Grosse-Kunstleve, Ralf W. & Adams, Paul D. December 9, 2003.

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Description

We present improved methods for indexing diffraction patterns from macromolecular crystals. The novel procedures include a more robust way to verify the position of the incident X-ray beam on the detector, an algorithm to verify that the deduced lattice basis is consistent with the observations, and an alternative approach to identify the metric symmetry of the lattice. These methods help to correct failures commonly experienced during indexing, and increase the overall success rate of the process. Rapid indexing, without the need for visual inspection, will play an important role as beamlines at synchrotron sources prepare for high-throughput automation.

Physical Description

23 pages

Notes

INIS; OSTI as DE00836376

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  • Journal Name: Journal of Applied Crystallography; Journal Volume: 37; Journal Issue: Pt3; Other Information: Submitted to Journal of Applied Crystallography: Volume 37, Pt3; Journal Publication Date: 06/2004

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  • Report No.: LBNL--54279
  • Grant Number: AC03-76SF00098
  • Office of Scientific & Technical Information Report Number: 836376
  • Archival Resource Key: ark:/67531/metadc784953

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • December 9, 2003

Added to The UNT Digital Library

  • Dec. 3, 2015, 9:30 a.m.

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  • Dec. 15, 2016, 1:31 p.m.

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Sauter, Nicholas K.; Grosse-Kunstleve, Ralf W. & Adams, Paul D. Robust indexing for automatic data collection, article, December 9, 2003; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc784953/: accessed October 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.