New methods for indexing multi‐lattice diffraction data. (1st October 2014)

• Record Type: Journal Article
• Authors: Gildea, Richard J.; Waterman, David G.; Parkhurst, James M.; Axford, Danny; Sutton, Geoff; Stuart, David I.; Sauter, Nicholas K.; Evans, Gwyndaf; Winter, Graeme
• Is Part Of: Acta crystallographica. Volume 70:Part 10(2014:Oct.)
• Page Start: 2652
• Page End: 2666
• Publication Date: 2014-10-01
• Subjects: Biomolecules -- Structure -- Periodicals; Physical biochemistry -- Periodicals; X-ray crystallography -- Periodicals; Crystallography -- Periodicals; 572
• DOI: 10.1107/S1399004714017039
• Languages: English
• ISSNs: 0907-4449

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>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 <italic>a priori</italic>. 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.</p> </abstract>