A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt [registered trademark] 4.0 (Open Source Edition) under Debian GNU/Linux 4.0r0. It can determine the unit-cell parameters from an electron diffraction tilt series obtained from both double-tilt and rotation-tilt holders. In this approach, two or more primitive cells of the reciprocal lattice are determined from experimental data, in the meantime, the measurement errors of the tilt angles are checked and minimized. Subsequently, the derived primitive cells are converted into the reduced form and then transformed into the reduced direct primitive cell. Finally all the patterns are indexed and the least-squares refinement is employed to obtain the optimized results of the lattice parameters. Finally, two examples are given to show the application of the program, one is based on the experiment, the other is from the simulation.
Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;Chinese Acad Sci, Inst Semicond, Beijing 100083, Peoples R China;Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
Zhao Hongsheng,Wu Deqi,Yao Jincheng,et al. QtUCP-A program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders[J]. Ultramicroscopy,2008,108(12):1540-1545.