International
Tables for
Crystallography
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 2.4, pp. 114-115
https://doi.org/10.1107/97809553602060000939

Appendix A2.4.1. Computer programs for electron powder diffraction

J.-M. Zuo,a* J. L. Lábár,b J. Zhang,c T. E. Gorelikd and U. Kolbe

aDepartment of Materials Science and Engineering, University of Illinois, 1304 W. Green Street, Urbana, IL 61801, USA,bInstitute of Technical Physics and Materials Science, Centre for Energy Research, Hungarian Academy of Sciences, Konkoly Thege M. u. 29–33, H-1121 Budapest, Hungary,cIntel Corporation, Technology Manufacturing Group, 2501 NE Century Boulevard, Hillsboro, OR 97124, USA,dUniversity of Ulm, Central Facility for Electron Microscopy, Electron Microscopy Group of Materials Science (EMMS), Albert Einstein Allee 11, 89069 Ulm, Germany, and eInstitut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, Welderweg 11, 55099 Mainz, Germany
Correspondence e-mail:  jianzuo@illinois.edu

CHECKCELL is a graphical powder-pattern indexing helper and space-group-assignment program that links into the CRYSFIRE powder indexing suite. More information and the program are available at http://www.ccp14.ac.uk/tutorial/lmgp/achekcelld.htm .

CRYSFIRE is a powder-pattern indexing system for DOS/Windows for unit-cell parameter determination from powder data (free for academic use). More information and the program are available at http://www.ccp14.ac.uk/tutorial/crys/ .

ELD is a commercial program for calibrating and integrating two-dimensional electron diffraction patterns. The program is commercially available from Calidris, Sweden. More information is available from http://www.calidris-em.com/eld.php .

Electron diffraction pattern atlas. The website of Professor Jean-Paul Morniroli (http://electron-diffraction.fr/ ) provides an atlas of electron diffraction patterns that can be used to identify the space group of a crystal from observation of a few typical PED and CBED zone-axis patterns.

FIT2D is a general-purpose image and diffraction processing program, designed for use with synchrotron data, that integrates pre-selected sections of either one-dimensional or two-dimensional data. Corrections for geometrical distortion and for nonlinearity of intensity are included. It is available both for the Windows operating system (and DOS window) and for Macintosh OSX. The program is freely available for academic users. More information and the program are available at http://www.esrf.eu/computing/scientific/FIT2D/ .

JEMS is a popular suite of simulation routines for a variety of platforms, mainly used for simulating high-resolution TEM (HRTEM), CBED, PED and SAED patterns. Simulation of powder diffraction rings is also included. The student version is free of charge. A licence is available from the author: http://www.jems-saas.ch/ .

PCED is a program for the simulation of polycrystalline electron diffraction patterns (Li, 2010[link]). A licence file is needed to unlock the program for loading input data files. More information is available at http://www.unl.edu/ncmn-cfem/xzli/ .

PDFgui and PDFfit2 are programs for full-profile fitting of the atomic PDF derived from X-ray or neutron diffraction data. PDFgui is a graphical front end for the PDFfit2 refinement program, with built-in graphical and structure-visualization capabilities. PDFgui is currently in beta release and it is distributed as part of the DiffPy library. More information and the program are available at http://www.diffpy.org .

Process Diffraction is designed for processing of SAED and NAED patterns. It includes quantitative determination of phase fractions and texture from ring patterns recorded from nanocrystalline thin films in TEM. More information and the program are available at http://www.energia.mta.hu/~labar/ProcDif.htm .

QPCED and PCED are Java-based software for digitization, processing, quantification and simulation of powder electron diffraction patterns. For information contact Dr X. Z. Li (xzli@unl.edu) or visit http://www.unl.edu/ncmn-cfem/xzli .

TexPat is a program for quantification of texture (preferred orientation) from a tilt series of ring patterns recorded from nanocrystalline thin films in TEM (Oleynikov & Hovmoller, 2004[link]).

WebEMAPS is a suite of computer programs that can be obtained at http://cbed.matse.illinois.edu/software_emaps.html . The programs include functions for visualization of crystal structures, simulation of single-crystal diffraction patterns, dynamic electron diffraction simulation, and calculations of electron structure factors and lattice d-spacings.

WinPLOTR is a peak-search program for plotting powder diffraction patterns and can be used as a graphical user interface for several programs used frequently in powder diffraction data analysis (e.g. FullProf, DicVOL, SuperCELL). WinPLOTR has been developed to run on PCs with a 32-bit Microsoft Windows operating system. More information and the program are available at http://www.cdifx.univ-rennes1.fr/winplotr/readme.htm .

References

Li, X. Z. (2010). PCED2.0 – a computer program for the simulation of polycrystalline electron diffraction pattern. Ultramicroscopy, 110, 297–304.Google Scholar
Oleynikov, P. & Hovmoller, S. (2004). TexPat – a program for quantitative analysis of oblique texture electron diffraction patterns. Z. Kristallogr. 219, 12–19.Google Scholar








































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