Structure data conversion and transformation

With CIF becoming a more used standard in the powder diffraction community, structure data conversion is becoming less needed on a day-to-day basis. The Powder Cell format is probably the next best format due to its relative simplicity compared to CIF. Most structure databases can export files into CIF format, and some to Powder Cell format. Eric Dowty s Cryscon software is currently the most comprehensive structure data conversion and transformation (Table 17.8). However, due care should be shown and results checked. Normally, the programs are robust, and it is more a case of users selecting options without understanding the consequences. 

Datasqueeze Datasqueeze Program for analyzing 2D diffraction data, especially small angle and powder diffraction. Paul Heiney, pheiney datasqueezesoftware.com, PMB 252, 303 West Lancaster Ave., Wayne, PA 19087 3938 U.S.A. Available at http // WWW.datasqueezesoftware.com/. First release 2002, last update February 2005 Can integrate full 2D cones of diffraction 

FIT2D FIT2D V9.129 Reference Manual V3.1, A. P. Hammersley, (1998) ESRF Internal Report, ESRF98HA01T and Two Dimensional Detector Software Erom Real Detector to Ideahsed Image or Two Theta Scan, A. P. Hammersley, S. O. Svensson, M. Hanfland, A. N. Fitch, and D. Hausermann, High Pressure Res., 1996, 14, 235 248 Can integrate full 2D cones of diffraction 

MAUD MAUD (Material Analysis Using Diffraction) a user friendly Java program for Rietveld Texture Analysis and more, L. Lutterotti, S. Matthies and H. R. Wenk, Proceeding of the Twelfth International Conference on Textures of Materials (ICOTOM 12), 1999, Vol. l,p. 1599 Debye Scherrer film integration and of full 2D cones of diffraction 

NIH Image NIH Image program (developed at the U.S. National Institutes of Health and available on the Internet at http //rsb.info.nih.gov/ nih image/) Usable for Debye Scherrer film integration 

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Table 17.8 Available structure data conversion and transformation software. 

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