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Volumn 222, Issue 2, 2007, Pages 47-53

Charge flipping combined with histogram matching to solve complex crystal structures from powder diffraction data

Author keywords

Charge flipping; Histogram matching; Polycrystalline materials; Powder diffraction structure analysis

Indexed keywords


EID: 33847135530     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.2007.222.2.47     Document Type: Article
Times cited : (126)

References (23)
  • 1
    • 19944410888 scopus 로고    scopus 로고
    • Altomare, A.; Burla, M. C.; Camalli, M.; Carrozzini, B.; Cascarano, G. L.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G; Polidori, G.; Rizzi, R.: EXPO: a program for full powder pattern decomposition and crystal structure solution. J. Appl. Crystallogr. 32 (1999) 339-340.
  • 2
    • 84927174784 scopus 로고    scopus 로고
    • Baerlocher, Ch.: EXTRACT. A Fortran program for the extraction of integrated intensities from a powder pattern. Institut für Kristallographie, ETH, Zürich, Switzerland, 1990.
  • 3
    • 84927175941 scopus 로고    scopus 로고
    • Baerlocher, Ch.; Hepp, A.: XRS-82. The X-ray Rietveld System, Institut für Kristallographie, ETH, Zürich, Switzerland, 1982.
  • 4
    • 19944430085 scopus 로고    scopus 로고
    • Baerlocher, Ch.; McCusker, L. B. (Eds): Structure Determination from Powder Diffraction Data, Special Issue. Z. Kristallogr. 219 (2004) 782-901.
  • 5
    • 11944264984 scopus 로고    scopus 로고
    • Exploiting texture to estimate the relative intensities of overlapping reflections
    • Baerlocher, Ch.; McCusker, L. B.; Prokic, S.; Wessels, T.: Exploiting texture to estimate the relative intensities of overlapping reflections. Z. Kristallogr. 219 (2004) 803-812.
    • (2004) Z. Kristallogr , vol.219 , pp. 803-812
    • Baerlocher, C.1    McCusker, L.B.2    Prokic, S.3    Wessels, T.4
  • 8
    • 84921552589 scopus 로고    scopus 로고
    • David, W. I. F.; Shankland, K.; McCusker, L. B.; Baerlocher, Ch. (Eds): Structure Determination from Powder Diffraction Data. Oxford University Press, 2002.
  • 9
    • 84927178466 scopus 로고    scopus 로고
    • Dong, J.; Liu, L.; Li, J.; Li, Y.; Baerlocher, Ch.; McCusker, L. B.: Microporous Mesoporous Mater., submitted.
  • 10
    • 0027609749 scopus 로고
    • Improved treatment of severely or exactly overlapping Bragg reflections for the application of direct methods to powder data
    • Estermann, M. A.; Gramlich, V.: Improved treatment of severely or exactly overlapping Bragg reflections for the application of direct methods to powder data. J. Appl. Crystallogr. 26 (1993) 396-404.
    • (1993) J. Appl. Crystallogr , vol.26 , pp. 396-404
    • Estermann, M.A.1    Gramlich, V.2
  • 11
    • 0036895497 scopus 로고    scopus 로고
    • FOX, 'free objects for crystallography': A modular approach to ab initio structure determination from powder diffraction
    • Favre-Nicolin, V.; Cerny, R.: FOX, 'free objects for crystallography': a modular approach to ab initio structure determination from powder diffraction. J. Appl. Crystallogr. 35 (2002) 734-743.
    • (2002) J. Appl. Crystallogr , vol.35 , pp. 734-743
    • Favre-Nicolin, V.1    Cerny, R.2
  • 12
    • 84927174783 scopus 로고    scopus 로고
    • Massüger, L.; Baerlocher, Ch.; McCusker, L. B.; Zwijenburg, M.: in preparation.
  • 13
    • 10644293057 scopus 로고    scopus 로고
    • Ab initio structure solution by charge flipping
    • Oszlányi, G.; Süto, A.: Ab initio structure solution by charge flipping. Acta Crystallogr. A60 (2004) 134-141.
    • (2004) Acta Crystallogr. A , vol.60 , pp. 134-141
    • Oszlányi, G.1    Süto, A.2
  • 14
    • 27744540544 scopus 로고    scopus 로고
    • Ab initio structure solution by charge flipping. II. Use of weak reflections
    • Oszlányi, G.; Süto, A.: Ab initio structure solution by charge flipping. II. Use of weak reflections. Acta Crystallogr. A61 (2005) 147-152.
    • (2005) Acta Crystallogr. A , vol.61 , pp. 147-152
    • Oszlányi, G.1    Süto, A.2
  • 15
    • 19744375411 scopus 로고    scopus 로고
    • Ab initio determination of incommensurately modulated structures by charge flipping in superspace
    • Palatinus, L.: Ab initio determination of incommensurately modulated structures by charge flipping in superspace. Acta Crystallogr. A60 (2004) 604-610.
    • (2004) Acta Crystallogr. A , vol.60 , pp. 604-610
    • Palatinus, L.1
  • 16
    • 84927174781 scopus 로고    scopus 로고
    • Palatinus, L.; Chapuis, G.: http://superspace.epfl.ch/superflip, 2006.
  • 18
    • 0027677473 scopus 로고
    • Recent advances in magnetic structure determination by neutron powder diffraction
    • Rodriguez-Carvajal, J.: Recent advances in magnetic structure determination by neutron powder diffraction. Physica B192 (1993) 55-69.
    • (1993) Physica B , vol.192 , pp. 55-69
    • Rodriguez-Carvajal, J.1
  • 19
    • 24444449143 scopus 로고
    • On the location and disorder of the tetrapropylammonium (TPA) ion in the zeolite ZSM-5 with improved framework accuracy
    • van Koningsveld, H.; van Bekkum, H.; Jansen, J. C.: On the location and disorder of the tetrapropylammonium (TPA) ion in the zeolite ZSM-5 with improved framework accuracy. Acta Crystallogr. B43 (1987) 127-132.
    • (1987) Acta Crystallogr. B , vol.43 , pp. 127-132
    • van Koningsveld, H.1    van Bekkum, H.2    Jansen, J.C.3
  • 20
    • 0033667508 scopus 로고    scopus 로고
    • Synthesis and crystal structures of zirconium phosphate with new 2D and 3D structure types
    • Wloka, M.; Troyanov, S. I.; Kemnitz, E.: Synthesis and crystal structures of zirconium phosphate with new 2D and 3D structure types. J. Solid State Chem. 149 (2000) 21-27.
    • (2000) J. Solid State Chem , vol.149 , pp. 21-27
    • Wloka, M.1    Troyanov, S.I.2    Kemnitz, E.3
  • 21
    • 11844292780 scopus 로고    scopus 로고
    • Extraction and use of correlated integrated intensities with powder diffraction data
    • Wright, J. P.: Extraction and use of correlated integrated intensities with powder diffraction data. Z. Kristallogr. 219 (2004) 791-802.
    • (2004) Z. Kristallogr , vol.219 , pp. 791-802
    • Wright, J.P.1
  • 22
    • 33746599546 scopus 로고    scopus 로고
    • Ab initio phasing of X-ray powder diffraction patterns by charge flipping
    • Wu, J.; Leinenweber, K.; Spence, J. C. H.; OKeeffe, M.: Ab initio phasing of X-ray powder diffraction patterns by charge flipping. Nature Mater. 5 (2006) 647-652.
    • (2006) Nature Mater , vol.5 , pp. 647-652
    • Wu, J.1    Leinenweber, K.2    Spence, J.C.H.3    OKeeffe, M.4
  • 23
    • 84944812185 scopus 로고
    • Histogram matching as a new density modification technique for phase refinement and extension of protein molecules
    • Zhang, K. Y. J. and Main, P.: Histogram matching as a new density modification technique for phase refinement and extension of protein molecules. Acta Cryst. A46 (1990) 41-46.
    • (1990) Acta Cryst. A , vol.46 , pp. 41-46
    • Zhang, K.Y.J.1    Main, P.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.