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Results for DC.creator="H." AND DC.creator="D." AND DC.creator="Flack" in section 1.6.5 of volume A |
Specialized methods of space-group determination
International Tables for Crystallography (2016). Vol. A, Section 1.6.5, pp. 114-128 [ doi:10.1107/97809553602060000924 ]
... yet enjoyed widespread distribution, use and acceptance by the community. Flack et al. (2011) and Parsons et al. (2012) give detailed ... and model values, to give the average (A) and difference (D) intensities:In equation (1.6.2.1), was denoted by . The expression ... byis the ratio of the root-mean-square value of D to the mean value of A. In a structure ...
Space-group determination in macromolecular crystallography
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.2, pp. 126-127 [ doi:10.1107/97809553602060000924 ]
... 292. Grosse-Kunstleve, R. W., Sauter, N. K. & Adams, P. D. (2004). Numerically stable algorithms for the computation of reduced ... Volume F, Crystallography of Biological Macromolecules, edited by E. Arnold, D. M. Himmel & M. G. Rossmann, Section 11.3.6 . Chichester: Wiley. Poon, B. K., Grosse-Kunstleve, R. W., Zwart, P. H. & Sauter, N. K. (2010). Detection and correction of ...
Data evaluation after structure refinement
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.4, p. 126 [ doi:10.1107/97809553602060000924 ]
... should be identical. For acentric reflections, for both A and D, a good fit of the observed to the model quantities ... this ideal straight line. For an individual reflection, 2A and D are, respectively, the sum and the difference of the same ... standard uncertainties. It is thus natural to select 2A and D to plot on the same graph. In practice one ...
Resolution of noncentrosymmetric ambiguities
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.3, p. 126 [ doi:10.1107/97809553602060000924 ]
Resolution of noncentrosymmetric ambiguities 1.6.5.1.3. Resolution of noncentrosymmetric ambiguities It was shown in Section 1.6.5.1.2 that under certain circumstances it is possible to determine whether or not the space group of the crystal investigated is centrosymmetric. Suppose that the space group was found to be noncentrosymmetric. In each Laue class, there ...
Status of centrosymmetry and resonant scattering
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.2, pp. 125-126 [ doi:10.1107/97809553602060000924 ]
... and model values, to give the average (A) and difference (D) intensities:In equation (1.6.2.1), was denoted by . The expression ... byis the ratio of the root-mean-square value of D to the mean value of A. In a structure analysis ... a value called Friedifstat, whose functional form was derived by Flack & Shmueli (2007) and Shmueli & Flack (2009). One needs ...
Introduction
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.1, pp. 114-125 [ doi:10.1107/97809553602060000924 ]
... yet enjoyed widespread distribution, use and acceptance by the community. Flack et al. (2011) and Parsons et al. (2012) give detailed information on these calculations. References Flack, H. D., Sadki, M., Thompson, A. L. & Watkin, D. J. ( ...
Applications of resonant scattering to symmetry determination
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1, pp. 114-126 [ doi:10.1107/97809553602060000924 ]
... yet enjoyed widespread distribution, use and acceptance by the community. Flack et al. (2011) and Parsons et al. (2012) give detailed ... and model values, to give the average (A) and difference (D) intensities:In equation (1.6.2.1), was denoted by . The expression ... byis the ratio of the root-mean-square value of D to the mean value of A. In a structure ...
Space-group determination from powder diffraction
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.3, pp. 127-128 [ doi:10.1107/97809553602060000924 ]
... the forthcoming new volume of International Tables for Crystallography (Volume H, Powder Diffraction) for further information. It goes without saying that ... No. 13. Oxford University Press. David, W. I. F. & Sivia, D. S. (2002). Extracting integrated intensities from powder diffraction patterns. ... F., Johnston, J. C., Ibberson, R. M., Tucker, M., Nowell, H. & Griffin, T. (2008). ExtSym: a program to aid ...
International Tables for Crystallography (2016). Vol. A, Section 1.6.5, pp. 114-128 [ doi:10.1107/97809553602060000924 ]
... yet enjoyed widespread distribution, use and acceptance by the community. Flack et al. (2011) and Parsons et al. (2012) give detailed ... and model values, to give the average (A) and difference (D) intensities:In equation (1.6.2.1), was denoted by . The expression ... byis the ratio of the root-mean-square value of D to the mean value of A. In a structure ...
Space-group determination in macromolecular crystallography
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.2, pp. 126-127 [ doi:10.1107/97809553602060000924 ]
... 292. Grosse-Kunstleve, R. W., Sauter, N. K. & Adams, P. D. (2004). Numerically stable algorithms for the computation of reduced ... Volume F, Crystallography of Biological Macromolecules, edited by E. Arnold, D. M. Himmel & M. G. Rossmann, Section 11.3.6 . Chichester: Wiley. Poon, B. K., Grosse-Kunstleve, R. W., Zwart, P. H. & Sauter, N. K. (2010). Detection and correction of ...
Data evaluation after structure refinement
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.4, p. 126 [ doi:10.1107/97809553602060000924 ]
... should be identical. For acentric reflections, for both A and D, a good fit of the observed to the model quantities ... this ideal straight line. For an individual reflection, 2A and D are, respectively, the sum and the difference of the same ... standard uncertainties. It is thus natural to select 2A and D to plot on the same graph. In practice one ...
Resolution of noncentrosymmetric ambiguities
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.3, p. 126 [ doi:10.1107/97809553602060000924 ]
Resolution of noncentrosymmetric ambiguities 1.6.5.1.3. Resolution of noncentrosymmetric ambiguities It was shown in Section 1.6.5.1.2 that under certain circumstances it is possible to determine whether or not the space group of the crystal investigated is centrosymmetric. Suppose that the space group was found to be noncentrosymmetric. In each Laue class, there ...
Status of centrosymmetry and resonant scattering
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.2, pp. 125-126 [ doi:10.1107/97809553602060000924 ]
... and model values, to give the average (A) and difference (D) intensities:In equation (1.6.2.1), was denoted by . The expression ... byis the ratio of the root-mean-square value of D to the mean value of A. In a structure analysis ... a value called Friedifstat, whose functional form was derived by Flack & Shmueli (2007) and Shmueli & Flack (2009). One needs ...
Introduction
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1.1, pp. 114-125 [ doi:10.1107/97809553602060000924 ]
... yet enjoyed widespread distribution, use and acceptance by the community. Flack et al. (2011) and Parsons et al. (2012) give detailed information on these calculations. References Flack, H. D., Sadki, M., Thompson, A. L. & Watkin, D. J. ( ...
Applications of resonant scattering to symmetry determination
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.1, pp. 114-126 [ doi:10.1107/97809553602060000924 ]
... yet enjoyed widespread distribution, use and acceptance by the community. Flack et al. (2011) and Parsons et al. (2012) give detailed ... and model values, to give the average (A) and difference (D) intensities:In equation (1.6.2.1), was denoted by . The expression ... byis the ratio of the root-mean-square value of D to the mean value of A. In a structure ...
Space-group determination from powder diffraction
International Tables for Crystallography (2016). Vol. A, Section 1.6.5.3, pp. 127-128 [ doi:10.1107/97809553602060000924 ]
... the forthcoming new volume of International Tables for Crystallography (Volume H, Powder Diffraction) for further information. It goes without saying that ... No. 13. Oxford University Press. David, W. I. F. & Sivia, D. S. (2002). Extracting integrated intensities from powder diffraction patterns. ... F., Johnston, J. C., Ibberson, R. M., Tucker, M., Nowell, H. & Griffin, T. (2008). ExtSym: a program to aid ...
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