Difracción de Rayos X de Muestras Cristalinas
Análisis Cualitativo
X'pert Hight Score
PANalytical, B. V. (2002). X’Pert HighScore Plus. X’Pert HighScore Plus, Lelyweg, Almelo, the Netherlands, 2.
PDF-4
PDF-4/Organics
Gates-Rector, Stacy, and Thomas Blanton. “The powder diffraction file: a quality materials characterization database.” Powder Diffraction 34, no. 4 (2019): 352-360.
QUALX
Altomare, A., Corriero, N., Cuocci, C., Falcicchio, A., Moliterni, A., & Rizzi, R. (2015). QUALX2. 0: a qualitative phase analysis software using the freely available database POW_COD. Journal of Applied Crystallography, 48(2), 598-603.
Indexado
DICVOL04-06
Boultif, A., & Louër, D. (2004). Powder pattern indexing with the dichotomy method. Journal of Applied Crystallography, 37(5), 724-731.
http://www.ccp14.ac.uk/ccp/web-mirrors/dicvol/
NBS·AIDS83
Mighell, A. D., Hubbard, C. R., Stalick, J. K., & Holomany, M. A. (1983). NBS* AIDS83: A Manual Describing the Data Format Used in NBS* AIDS83. JCPDS-International Centre for Diffraction Data, Swarthmore, PA, USA.
ITO15
Visser, J. W. (1969). A fully automatic program for finding the unit cell from powder data. Journal of Applied Crystallography, 2(3), 89-95.
TREOR
Werner, P. E., Eriksson, L., & Westdahl, M. (1985). TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries. Journal of Applied Crystallography, 18(5), 367-370.
N-TREOR09
Altomare, A., Campi, G., Cuocci, C., Eriksson, L., Giacovazzo, C., Moliterni, A., ... & Werner, P. E. (2009). Advances in powder diffraction pattern indexing: N-TREOR09. Journal of applied crystallography, 42(5), 768-775.
CRYSFIRE
Shirley, R. (2000). The CRYSFIRE system for automatic powder indexing: user’s manual. The Lattice Press, 41, 931-932.
MCMAILLE
Rex.Cell
Bortolotti, M., & Lonardelli, I. (2013). ReX. Cell: a user-friendly program for powder diffraction indexing. Journal of Applied Crystallography, 46(1), 259-261.
CONOGRAPH
Oishi-Tomiyasu, R. (2014). Robust powder auto-indexing using many peaks. Journal of Applied Crystallography, 47(2), 593-598.
Método de Le Bail, de Pawley y de Rietveld
EXPO2014
Altomare, 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. Journal of Applied Crystallography, 46(4), 1231-1235.
DAJUST
Vallcorba, O., Rius, J., Frontera, C., Peral, I., & Miravitlles, C. (2012). DAJUST: a suite of computer programs for pattern matching, space-group determination and intensity extraction from powder diffraction data. Journal of Applied Crystallography, 45(4), 844-848.
FULLPROF
Rodriguez-Carvajal, J. (1990, July). FULLPROF: a program for Rietveld refinement and pattern matching analysis. In satellite meeting on powder diffraction of the XV congress of the IUCr (Vol. 127). Toulouse, France:[sn].
GSAS
Larson, A.C. and Von Dreele, R.B. "General Structure Analysis System (GSAS)", Los Alamos National Laboratory Report LAUR 86-748 (2000).
Toby, B. H. (2001). "EXPGUI, a Graphical User Interface for GSAS," Journal of Applied Crystallography 34, 210-213.
GSAS II
Toby, B. H., & Von Dreele, R. B. (2013). GSAS-II: the genesis of a modern open-source all purpose crystallography software package. Journal of Applied Crystallography, 46(2), 544-549.
Determiancion Estructural
XLENS y TALP
