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. 3.4, p. 278

Section 3.4.4.4. Crysfire: a suite of indexing programs

A. Altomare,a* C. Cuocci,a A. Moliternia and R. Rizzia

aInstitute of Crystallography – CNR, Via Amendola 122/o, Bari, I-70126, Italy
Correspondence e-mail:  angela.altomare@ic.cnr.it

3.4.4.4. Crysfire: a suite of indexing programs

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The Crysfire suite (Shirley, 2002[link]) is a multi-program indexing facility. It can perform a self-calibration, which is aimed at detecting and correcting 2θ zero errors, and is able to strip out weak lines. Its single unified user interface and data-file format make a wide set of indexing packages accessible with minimal effort (especially to non-specialists). Crysfire provides a list of the possible cells suggested by each indexing program, suitably ranked. The Crysfire 2003 suite supports a total of 11 programs (Bergmann et al., 2004[link]), among which are ITO, TREOR90, DICVOL91 and McMaille. The possibility of using different indexing programs, working in parameter space or index space and adopting different indexing approaches increases the probability of finding the correct cell.

References

Bergmann, J., Le Bail, A., Shirley, R. & Zlokazov, V. (2004). Renewed interest in powder diffraction data indexing. Z. Kristallogr. 219, 783–790.Google Scholar
Shirley, R. (2002). User Manual, The Crysfire 2002 system for Automatic Powder Indexing. Guildford: Lattice Press.Google Scholar








































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