Three-dimensional rotation electron diffraction: softwareREDfor automated data collection and data processing
| العنوان: | Three-dimensional rotation electron diffraction: softwareREDfor automated data collection and data processing |
|---|---|
| المؤلفون: | Junliang Sun, Wei Wan, Jie Su, Xiaodong Zou, Sven Hovmöller |
| المصدر: | Journal of Applied Crystallography |
| بيانات النشر: | International Union of Crystallography (IUCr), 2013. |
| سنة النشر: | 2013 |
| مصطلحات موضوعية: | Diffraction, Data processing, Materials science, Data collection, business.industry, ComputingMethodologies_IMAGEPROCESSINGANDCOMPUTERVISION, Research Papers, computer programs, structure analysis, General Biochemistry, Genetics and Molecular Biology, three-dimensional electron diffraction, Crystallography, Tilt (optics), Optics, Electron diffraction, Beam tilt, Goniometer, electron diffraction, electron diffraction tomography, rotation electron diffraction, business, Rotation (mathematics), ComputingMethodologies_COMPUTERGRAPHICS |
| الوصف: | Implementation of the RED software package for automated collection and processing of rotation electron diffraction data is described. Implementation of a computer program package for automated collection and processing of rotation electron diffraction (RED) data is described. The software package contains two computer programs: RED data collection and RED data processing. The RED data collection program controls the transmission electron microscope and the camera. Electron beam tilts at a fine step (0.05–0.20°) are combined with goniometer tilts at a coarse step (2.0–3.0°) around a common tilt axis, which allows a fine relative tilt to be achieved between the electron beam and the crystal in a large tilt range. An electron diffraction (ED) frame is collected at each combination of beam tilt and goniometer tilt. The RED data processing program processes three-dimensional ED data generated by the RED data collection program or by other approaches. It includes shift correction of the ED frames, peak hunting for diffraction spots in individual ED frames and identification of these diffraction spots as reflections in three dimensions. Unit-cell parameters are determined from the positions of reflections in three-dimensional reciprocal space. All reflections are indexed, and finally a list with hkl indices and intensities is output. The data processing program also includes a visualizer to view and analyse three-dimensional reciprocal lattices reconstructed from the ED frames. Details of the implementation are described. Data collection and data processing with the software RED are demonstrated using a calcined zeolite sample, silicalite-1. The structure of the calcined silicalite-1, with 72 unique atoms, could be solved from the RED data by routine direct methods. |
| تدمد: | 0021-8898 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa9f1c01d25c1c74bf42617683142e78 https://doi.org/10.1107/s0021889813027714 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....fa9f1c01d25c1c74bf42617683142e78 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 00218898 |
|---|