skip to main content

DOE PAGESDOE PAGES

Title: New methods for indexing multi-lattice diffraction data

A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from crystals of ~1 µm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1° wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling.
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [3] ;  [4] ;  [5] ;  [1] ;  [1]
  1. Science and Technology Facilities Council (STFC), Harwell Campus, Oxford (United Kingdom). Diamond Light Source, Ltd.
  2. Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab. (RAL)
  3. Univ. of Oxford, Oxford (United Kingdom). The Wellcome Trust Centre for Human Genetics.
  4. Diamon Light Source Ltd, Didcot (England); Univ. of Oxford, Oxford (England). The Wellcome Trust Centre for Human Genetics.
  5. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Biosciences Div.
Publication Date:
OSTI Identifier:
1213568
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section D: Biological Crystallography (Online)
Additional Journal Information:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography (Online); Journal Volume: 70; Journal Issue: 10; Journal ID: ISSN 1399-0047
Publisher:
International Union of Crystallography
Research Org:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE indexing; multi-lattice data