New methods for indexing multi-lattice diffraction data.

Journal article

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: Gildea, R; Waterman, D; Parkhurst, J; Axford, D; Sutton, G

• Publication status: Published
• Publisher: International Union of Crystallography
• Journal: Acta crystallographica. Section D, Biological crystallography
• Volume: 70
• Issue: Pt 10
• Pages: 2652-2666
• Publication date: 2014-10-01
• DOI: 10.1107/s1399004714017039
• EISSN: 1399-0047
• ISSN: 0907-4449
• Language: English
• Keywords: indexing; multi-lattice data