Schrode Benedikt, Pachmajer Stefan, Dohr Michael, Röthel Christian, Domke Jari, Fritz Torsten, Resel Roland, Werzer Oliver
Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, Graz 8010, Austria.
Institute of Pharmaceutical Sciences, Department of Pharmaceutical Technology, University of Graz, Universitätsplatz 1, Graz 8010, Austria.
J Appl Crystallogr. 2019 May 31;52(Pt 3):683-689. doi: 10.1107/S1600576719004485. eCollection 2019 Jun 1.
is a software package based on MATLAB specialized for, but not limited to, the visualization and analysis of grazing-incidence thin-film X-ray diffraction data obtained during sample rotation around the surface normal. allows the user to perform detector calibration, data stitching, intensity corrections, standard data evaluation ( cuts and integrations along specific reciprocal-space directions), crystal phase analysis . To take full advantage of the measured data in the case of sample rotation, pole figures can easily be calculated from the experimental data for any value of the scattering angle covered. As an example, is applied to phase analysis and the evaluation of the epitaxial alignment of pentacene-quinone crystallites on a single-crystalline Au(111) surface.
是一个基于MATLAB的软件包,专门用于(但不限于)对围绕表面法线旋转样品时获得的掠入射薄膜X射线衍射数据进行可视化和分析。它允许用户进行探测器校准、数据拼接、强度校正、标准数据评估(沿特定倒易空间方向的切割和积分)、晶体相分析。为了在样品旋转的情况下充分利用测量数据,可以根据覆盖的任何散射角值从实验数据中轻松计算极图。例如,它被应用于相分析和对并五苯醌微晶在单晶Au(111)表面上的外延取向评估。