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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.

Original publication

DOI

10.1107/S1399004714017039

Type

Journal article

Journal

Acta Crystallogr D Biol Crystallogr

Publication Date

10/2014

Volume

70

Pages

2652 - 2666

Keywords

indexing, multi-lattice data, Abstracting and Indexing as Topic, Algorithms, Crystallography, X-Ray, Databases, Protein, Fourier Analysis, Proteins, X-Ray Diffraction