Diffuse single-crystal scattering corrected for molecular form factor effects
نویسندگان
چکیده
منابع مشابه
Monte Carlo Modelling of Single-Crystal Diffuse Scattering from Intermetallics
Single-crystal diffuse scattering (SCDS) reveals detailed structural insights into materials. In particular, it is sensitive to two-body correlations, whereas traditional Bragg peak-based methods are sensitive to single-body correlations. This means that diffuse scattering is sensitive to ordering that persists for just a few unit cells: nanoscale order, sometimes referred to as “local structur...
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The drug benzocaine (ethyl 4-aminobenzoate), commonly used as a local anaesthetic, is a bimorphic solid at room temperature. Form (I) is monoclinic P2(1)/c, while the metastable form (II) is orthorhombic P2(1)2(1)2(1). Three-dimensional diffuse X-ray scattering data have been collected for the two forms on the 11-ID-B beamline at the Advanced Photon Source (APS). Both forms show strong and high...
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In the x-ray diffraction experiment, we collected about 8 million diffraction images in total, where less then 0.3% (20 thousand) were “good” images that could be used for further scientific study. Even among those “good” images, about 95% was “non-diffuse” image (1b, 1d, 1f), and only 5% (1 thousand) was “diffuse” image (1a, 1c, 1e) that we decided to extract out using machine learning methods...
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Diffraction methods are the most important methods to study the three-dimensional arrangement of matter at the atomic level. Real materials are often not perfectly ordered and the resulting diffraction pattern may contain a weak continuous or structured background known as diffuse scattering, in addition to sharp Bragg peaks. Our motivation is to analyse diffuse scattering in order to learn abo...
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Single crystal diffuse scattering was collected on the Wombat high-intensity powder diffractometer at the OPAL reactor at the Bragg Institute. The difficulty in measuring diffuse scattering comes from its relatively low intensity compared to the Bragg peaks, a factor of 10−10 smaller. Wombat allows collection of diffuse scattering due to its high intensity and large two-dimensional detector. Di...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2017
ISSN: 2053-2733
DOI: 10.1107/s2053273317002297