International
Tables for Crystallography Volume H Powder diffraction Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk © International Union of Crystallography 2018 |
International Tables for Crystallography (2018). Vol. H, ch. 3.4, pp. 276-277
Section 3.4.4.2.1. N-TREOR09 (Altomare et al., 2009
|
Implemented in the EXPO program (Altomare et al., 2013) to perform the powder pattern indexing step, N-TREOR09 is an update of N-TREOR (Altomare et al., 2000
), which in turn is an evolution of TREOR90, and preserves the main strategies with some changes introduced to make the program more exhaustive and powerful. In particular:
This program is also able to index powder patterns from small proteins: see Example 4 in Section 3.4.4.6.2
.
References
Altomare, A., Campi, G., Cuocci, C., Eriksson, L., Giacovazzo, C., Moliterni, A., Rizzi, R. & Werner, P.-E. (2009). Advances in powder diffraction pattern indexing: N-TREOR09. J. Appl. Cryst. 42, 768–775.Google ScholarAltomare, A., Cuocci, C., Giacovazzo, C., Moliterni, A., Rizzi, R., Corriero, N. & Falcicchio, A. (2013). EXPO2013: a kit of tools for phasing crystal structures from powder data. J. Appl. Cryst. 46, 1231–1235.Google Scholar
Altomare, A., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Rizzi, R. & Werner, P.-E. (2000). New techniques for indexing: N-TREOR in EXPO. J. Appl. Cryst. 33, 1180–1186.Google Scholar