Title of article
QtUCP—A program for determining unit-cell parameters in electron diffraction experiments using double-tilt and rotation-tilt holders
Author/Authors
Zhao، نويسنده , , Hongsheng and Wu، نويسنده , , Deqi and Yao، نويسنده , , Jincheng and Chang، نويسنده , , Aimin، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2008
Pages
6
From page
1540
To page
1545
Abstract
A computer program, QtUCP, has been developed based on several well-established algorithms using GCC 4.0 and Qt ® 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.
Keywords
Niggli-reduced cell , Electron diffraction , computer program , Unit-cell determination
Journal title
Ultramicroscopy
Serial Year
2008
Journal title
Ultramicroscopy
Record number
2157425
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