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.

www.panalytical.com/Xray-diffraction-software/HighScore.htm

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.

www.researchgate.net/profile/Corrado_Cuocci/publication/239252586_QUALX_A_computer_program_for_qualitative_analysis_using_powder_diffraction_data/links/5747ebe708ae2301b0b80c0d.pdf

www.ba.ic.cnr.it/softwareic/qualx/

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/

DICVOL14

Some further considerations in powder diffraction pattern indexing with the dichotomy method | Powder Diffraction | Cambridge Core<div class="title">Some further considerations in powder diffraction pattern indexing with the dichotomy method</div> - Volume 29 Issue S2 - Daniel Louër, Ali Boultif

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.

www.cristal.org/museum/treor90.zip

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.

www.ba.ic.cnr.it/softwareic/expo/indexing-by-expo2014/

CRYSFIRE

Shirley, R. (2000). The CRYSFIRE system for automatic powder indexing: user’s manual. The Lattice Press, 41, 931-932.

MCMAILLE

Monte Carlo indexing with McMaille | Powder Diffraction | Cambridge Core<div class="title">Monte Carlo indexing with McMaille</div> - Volume 19 Issue 3 - A. Le Bail

www.researchgate.net/profile/Armel_Le_Bail/publication/228093444_Monte_Carlo_indexing_with_McMaille/links/02e7e52b29f4aafa9c000000/Monte-Carlo-indexing-with-McMaille.pdf

www.cristal.org/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.

www.researchgate.net/profile/Mauro_Bortolotti2/publication/237079475_ReX.Cell_A_user-friendly_program_for_powder_diffraction_indexing/links/0c96051f25317cf2be000000.pdf

www.rexpd.org/rex-home-page/rex-cell/

CONOGRAPH

Oishi-Tomiyasu, R. (2014). Robust powder auto-indexing using many peaks. Journal of Applied Crystallography, 47(2), 593-598.

Powder auto-indexing software Conograph Proyecto la página de la cima española - OSDNConograph GUI (Windows/Mac) is distributed at (4/30/2013--): https://z-code.kek.jp/zrg/ (webpage of KEK) http://conograph.osdn.jp/ConographGUI/web_page_JP.html (webpage of the author) Conograph ...

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.

www.researchgate.net/profile/Corrado_Cuocci/publication/263156594_EXPO2013_A_kit_of_tools_for_phasing_crystal_structures_from_powder_data/links/56f14c7508ae5c367d4aa097.pdf

www.ba.ic.cnr.it/softwareic/expo/

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.

departments.icmab.es/crystallography/software

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].

www.ill.eu/sites/fullprof/index.html

GSAS