pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots
| العنوان: | pinkIndexer – a universal indexer for pink-beam X-ray and electron diffraction snapshots |
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| المؤلفون: | Henry N. Chapman, Anton Barty, Y. Gevorkov, Alke Meents, Aleksandra Tolstikova, Thomas A. White, W. Brehm, Max O. Wiedorn, Oleksandr Yefanov, Rolf-Rainer Grigat |
| المصدر: | Acta crystallographica / A Foundations and advances Section A 76(2), 1-11 (2020). doi:10.1107/S2053273319015559 Acta Crystallographica Section A Foundations and Advances 2 (76): 121-131 (2020) Acta Crystallographica. Section A, Foundations and Advances |
| بيانات النشر: | Blackwell, 2020. |
| سنة النشر: | 2020 |
| مصطلحات موضوعية: | CrystFEL, Diffraction, Materials science, Astrophysics::High Energy Astrophysical Phenomena, Automated data processing, pink X-ray beam, Physics::Optics, 02 engineering and technology, Electron, Informatik [004], Biochemistry, Inorganic Chemistry, Crystal, 03 medical and health sciences, Optics, Structural Biology, serial electron diffraction, General Materials Science, ddc:530, Physical and Theoretical Chemistry, 030304 developmental biology, 0303 health sciences, Electron crystallography, business.industry, X-ray, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Research Papers, Wavelength, Electron diffraction, pinkIndexer, ddc:004, 0210 nano-technology, business, indexing |
| الوصف: | Acta crystallographica / A Foundations and advances Section A 76(2), 1-11 (2020). doi:10.1107/S2053273319015559 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. Published by Blackwell, Oxford [u.a.] |
| وصف الملف: | application/pdf |
| اللغة: | English |
| تدمد: | 2053-2733 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a045f4f47779597909012f6deca92d9d https://bib-pubdb1.desy.de/record/434540 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....a045f4f47779597909012f6deca92d9d |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 20532733 |
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