期刊
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
卷 76, 期 -, 页码 121-131出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2053273319015559
关键词
indexing; pinkIndexer; CrystFEL; pink X-ray beam; serial electron diffraction
资金
- Cluster of Excellence 'Advanced Imaging of Matter' of the Deutsche Forschungsgemeinschaft (DFG) -EXC 2056 [390715994]
- 'X-probe' project - European Union's 2020 Research and Innovation Program under the Marie Sklodowska-Curie Grant [637295]
- European Research Council, 'Frontiers in Attosecond X-ray Science: Imaging and Spectroscopy (AXSIS)' [ERC-2013-SyG 609920]
A crystallographic indexing algorithm, pinkIndexer, is presented for the analysis of snapshot diffraction patterns. It can be used in a variety of contexts including measurements made with a monochromatic radiation source, a polychromatic source or with radiation of very short wavelength. As such, the algorithm is particularly suited to automated data processing for two emerging measurement techniques for macromolecular structure determination: serial pink-beam X-ray crystallography and serial electron crystallography, which until now lacked reliable programs for analyzing many individual diffraction patterns from crystals of uncorrelated orientation. The algorithm requires approximate knowledge of the unit-cell parameters of the crystal, but not the wavelengths associated with each Bragg spot. The use of pinkIndexer is demonstrated by obtaining 1005 lattices from a published pink-beam serial crystallography data set that had previously yielded 140 indexed lattices. Additionally, in tests on experimental serial crystallography diffraction data recorded with quasi-monochromatic X-rays and with electrons the algorithm indexed more patterns than other programs tested.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据