|Publisher DOI:||10.1107/S2053273319010593||Title:||XGANDALF – extended gradient descent algorithm for lattice finding||Language:||English||Authors:||Gevorkov, Yaroslav
White, Thomas A.
Chapman, Henry N.
|Keywords:||indexing;XGANDALF;CrystFEL;multiple lattices;serial crystallography||Issue Date:||30-Aug-2019||Publisher:||International Union of Crystallography (IUCr) ; Wiley-Blackwell - STM||Source:||Acta Crystallographica. Section A, Foundations and Advances 5 (75): 694-704 (2019)||Journal or Series Name:||Acta crystallographica||Abstract (english):||Serial crystallography records still diffraction patterns from single, randomly oriented crystals, then merges data from hundreds or thousands of them to form a complete data set. To process the data, the diffraction patterns must first be indexed, equivalent to determining the orientation of each crystal. A novel automatic indexing algorithm is presented, which in tests usually gives significantly higher indexing rates than alternative programs currently available for this task. The algorithm does not require prior knowledge of the lattice parameters but can make use of that information if provided, and also allows indexing of diffraction patterns generated by several crystals in the beam. Cases with a small number of Bragg spots per pattern appear to particularly benefit from the new approach. The algorithm has been implemented and optimized for fast execution, making it suitable for real-time feedback during serial crystallography experiments. It is implemented in an open-source C++ library and distributed under the LGPLv3 licence. An interface to it has been added to the CrystFEL software suite.||URI:||http://hdl.handle.net/11420/3532||DOI:||10.15480/882.2428||ISSN:||2053-2733||Institute:||Bildverarbeitungssysteme E-2||Type:||(wissenschaftlicher) Artikel||Funded by:||German Ministry of Education and Research (BMBF) German Research Foundation (DFG) Gottfried Wilhelm Leibniz Program and Clusters of Excellence `Center for Ultrafast Imaging Advanced Imaging of Matter||Project:||05K18CHA, CUI, EXC 1074, ID 194651731, AIM, EXC 2056, ID 390715994.|
|Appears in Collections:||Publications with fulltext (tub.dok)|
Show full item record
checked on Oct 23, 2019
checked on Oct 23, 2019
This item is licensed under a Creative Commons License