By a News Reporter-Staff News Editor at Computer Weekly News -- Researchers detail new data in Data Processing. According to news reporting from Stockholm, Sweden, by VerticalNews journalists, research stated, "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 news correspondents obtained a quote from the research from Stockholm University, "The RED data collection program controls the transmission electron microscope and the camera. Electron beam tilts at a fine step (0.05-0.20 degrees) are combined with goniometer tilts at a coarse step (2.0-3.0 degrees) 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."
According to the news reporters, the research concluded: "The structure of the calcined silicalite-1, with 72 unique atoms, could be solved from the RED data by routine direct methods."
For more information on this research see: Three-dimensional rotation electron diffraction: software RED for automated data collection and data processing. Journal of Applied Crystallography, 2013;46():1863-1873. Journal of Applied Crystallography can be contacted at: Wiley-Blackwell, 111 River St, Hoboken 07030-5774, NJ, USA. (Wiley-Blackwell - www.wiley.com/; Journal of Applied Crystallography - onlinelibrary.wiley.com/journal/10.1111/(ISSN)1600-5767)
Our news journalists report that additional information may be obtained by contacting W. Wan, Stockholm University, Arrhenius Lab, Dept. of Mat & Environm Chem, Inorgan & Struct Chem & Berzelii Center EXSELENT Por, SE-10691 Stockholm, Sweden. Additional authors for this research include J.L. Sun, J. Su, S. Hovmoller and X.D. Zou.
Keywords for this news article include: Sweden, Europe, Software, Stockholm, Information Technology, Information and Data Processing
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