دورية أكاديمية
SFX analysis of non-biological polycrystalline samples
العنوان: | SFX analysis of non-biological polycrystalline samples |
---|---|
المؤلفون: | Tao Zhang, Shifeng Jin, Yuanxin Gu, Yao He, Ming Li, Yang Li, Haifu Fan |
المصدر: | IUCrJ, Vol 2, Iss 3, Pp 322-326 (2015) |
بيانات النشر: | International Union of Crystallography, 2015. |
سنة النشر: | 2015 |
المجموعة: | LCC:Crystallography |
مصطلحات موضوعية: | serial crystallography, X-ray powder diffraction, phase identification, structure solution, Crystallography, QD901-999 |
الوصف: | Serial femtosecond crystallography (SFX) is capable of collecting three-dimensional single-crystal diffraction data using polycrystalline samples. This may dramatically enhance the power of X-ray powder diffraction. In this paper a test has been performed using simulated diffraction patterns. The test sample is a mixture of two zeolites with crystal grain sizes from 100 to 300 nm. X-ray diffraction snapshots by SFX were simulated and processed using the program suite CrystFEL. Identification according to the primitive unit-cell volume determined from individual snapshots was able to separate the whole set of snapshots into two subsets, which correspond to the two zeolites in the sample. Monte Carlo integration in CrystFEL was then applied to them separately. This led to two sets of three-dimensional single-crystal diffraction intensities, based on which crystal structures of the two zeolites were solved easily by direct methods implemented in the program SHELXD. |
نوع الوثيقة: | article |
وصف الملف: | electronic resource |
اللغة: | English |
تدمد: | 2052-2525 20522525 |
Relation: | http://scripts.iucr.org/cgi-bin/paper?S2052252515002146; https://doaj.org/toc/2052-2525 |
DOI: | 10.1107/S2052252515002146 |
URL الوصول: | https://doaj.org/article/64b7557498a1460789fac9dda3753c9e |
رقم الأكسشن: | edsdoj.64b7557498a1460789fac9dda3753c9e |
قاعدة البيانات: | Directory of Open Access Journals |
تدمد: | 20522525 |
---|---|
DOI: | 10.1107/S2052252515002146 |