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Results for DC.creator="D." AND DC.creator="W." AND DC.creator="J." AND DC.creator="Cruickshank" |
Coordinate uncertainty
International Tables for Crystallography (2012). Vol. F, ch. 18.5, pp. 499-511 [ doi:10.1107/97809553602060000859 ]
... if the cell is divided into two regions C and D, . Thus if D is a region of disordered solvent, can be estimated from ... drawn from a Topical Review published in Acta Crystallographica, Section D (Cruickshank, 1999). Protein structures exhibiting noncrystallographic symmetry are ...
Statistical reinterpretation of Luzzati plots
International Tables for Crystallography (2012). Vol. F, Section 18.5.8.2, pp. 509-510 [ doi:10.1107/97809553602060000859 ]
... be reinterpreted to give statistically based estimates of . During Cruickshank's (1960) derivation of the approximate equation (18.5.6.2) for in ... 18.5.8.1) and use the three-dimensional-Gaussian relation , some manipulation (Cruickshank, 1999) along the lines of Section 18.5.6 eventually yields a ... of R versus . The corresponding equation involving is References Cruickshank, D. W. J. (1960). The required precision of ...
[more results from section 18.5.8 in volume F]
Comments on the diffraction-component precision index
International Tables for Crystallography (2012). Vol. F, Section 18.5.7.4, pp. 508-509 [ doi:10.1107/97809553602060000859 ]
... for atoms of different B and Z. References Tickle, I. J., Laskowski, R. A. & Moss, D. S. (1998a). Error estimates of protein structure coordinates and ...
[more results from section 18.5.7 in volume F]
Position error
International Tables for Crystallography (2012). Vol. F, Section 18.5.6.4, p. 507 [ doi:10.1107/97809553602060000859 ]
Position error 18.5.6.4. Position error Often an estimate of a position error , rather than a coordinate error , is required. In the isotropic approximation, Consequently, the DPI formulae for the position errors are with R and with . References International Tables for Crystallography (2012). Vol. F, ch. 18.5, p. 507 © International ...
[more results from section 18.5.6 in volume F]
Application of the modified Fourier method
International Tables for Crystallography (2012). Vol. F, Section 18.5.5.3, pp. 505-506 [ doi:10.1107/97809553602060000859 ]
... between Fourier and least-squares methods demonstrated by Cochran (1948), Cruickshank (1949b, 1952, 1959), and Cruickshank & Robertson (1953), closely similar estimates of the precision of individual ... diffraction-component precision index (DPI) and Luzzati plots. References Cochran, W. (1948). The Fourier method of crystal-structure analysis. ...
[more results from section 18.5.5 in volume F]
Full-matrix estimates of precision
International Tables for Crystallography (2012). Vol. F, Section 18.5.4.4, p. 505 [ doi:10.1107/97809553602060000859 ]
... and perspectives. Acta Cryst. D49, 37-60. Bricogne, G. & Irwin, J. (1996). Maximum-likelihood structure refinement: theory and implementation within ... 842-856. Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Refinement of macromolecular structures by the maximum-likelihood ... Acta Cryst. D53, 240-255. Pannu, N. S. & Read, R. J. (1996). Improved structure refinement through maximum likelihood. Acta ...
[more results from section 18.5.4 in volume F]
Relative weighting of diffraction and restraint terms
International Tables for Crystallography (2012). Vol. F, Section 18.5.3.3, p. 502 [ doi:10.1107/97809553602060000859 ]
... value. Methods and application. Acta Cryst. D49, 24-36. Rollett, J. S. (1970). Least-squares procedures in crystal structure analysis. ... Hall & C. P. Huber, pp. 167-181. Copenhagen: Munksgaard. Schwarzenbach, D., Abrahams, S. C., Flack, H. D., Prince, E. & Wilson, A. J. C. (1995). Statistical ...
[more results from section 18.5.3 in volume F]
Statistical descriptors and goodness of fit
International Tables for Crystallography (2012). Vol. F, Section 18.5.2.3, p. 501 [ doi:10.1107/97809553602060000859 ]
... Tables, edited by E. Prince. Dordrecht: Kluwer Academic Publishers. Schwarzenbach, D., Abrahams, S. C., Flack, H. D., Gonschorek, W., Hahn, Th., Huml, K., Marsh, R. E., Prince, E., ...
[more results from section 18.5.2 in volume F]
Effect of atomic displacement parameters (or `temperature factors')
International Tables for Crystallography (2012). Vol. F, Section 18.5.1.3, pp. 499-500 [ doi:10.1107/97809553602060000859 ]
... Scattering power depends on . For B = 20Å2 and d = 4, 2 or 1Å, this factor is 0.54, 0.08 or 0.0001. For d = 2Å and B = 5, 20 or 80Å2, the factor ... and on the resolution . Scattering at high resolution (low d) is dominated by atoms with low B. An immediate ...
[more results from section 18.5.1 in volume F]
International Tables for Crystallography (2012). Vol. F, ch. 18.5, pp. 499-511 [ doi:10.1107/97809553602060000859 ]
... if the cell is divided into two regions C and D, . Thus if D is a region of disordered solvent, can be estimated from ... drawn from a Topical Review published in Acta Crystallographica, Section D (Cruickshank, 1999). Protein structures exhibiting noncrystallographic symmetry are ...
Statistical reinterpretation of Luzzati plots
International Tables for Crystallography (2012). Vol. F, Section 18.5.8.2, pp. 509-510 [ doi:10.1107/97809553602060000859 ]
... be reinterpreted to give statistically based estimates of . During Cruickshank's (1960) derivation of the approximate equation (18.5.6.2) for in ... 18.5.8.1) and use the three-dimensional-Gaussian relation , some manipulation (Cruickshank, 1999) along the lines of Section 18.5.6 eventually yields a ... of R versus . The corresponding equation involving is References Cruickshank, D. W. J. (1960). The required precision of ...
[more results from section 18.5.8 in volume F]
Comments on the diffraction-component precision index
International Tables for Crystallography (2012). Vol. F, Section 18.5.7.4, pp. 508-509 [ doi:10.1107/97809553602060000859 ]
... for atoms of different B and Z. References Tickle, I. J., Laskowski, R. A. & Moss, D. S. (1998a). Error estimates of protein structure coordinates and ...
[more results from section 18.5.7 in volume F]
Position error
International Tables for Crystallography (2012). Vol. F, Section 18.5.6.4, p. 507 [ doi:10.1107/97809553602060000859 ]
Position error 18.5.6.4. Position error Often an estimate of a position error , rather than a coordinate error , is required. In the isotropic approximation, Consequently, the DPI formulae for the position errors are with R and with . References International Tables for Crystallography (2012). Vol. F, ch. 18.5, p. 507 © International ...
[more results from section 18.5.6 in volume F]
Application of the modified Fourier method
International Tables for Crystallography (2012). Vol. F, Section 18.5.5.3, pp. 505-506 [ doi:10.1107/97809553602060000859 ]
... between Fourier and least-squares methods demonstrated by Cochran (1948), Cruickshank (1949b, 1952, 1959), and Cruickshank & Robertson (1953), closely similar estimates of the precision of individual ... diffraction-component precision index (DPI) and Luzzati plots. References Cochran, W. (1948). The Fourier method of crystal-structure analysis. ...
[more results from section 18.5.5 in volume F]
Full-matrix estimates of precision
International Tables for Crystallography (2012). Vol. F, Section 18.5.4.4, p. 505 [ doi:10.1107/97809553602060000859 ]
... and perspectives. Acta Cryst. D49, 37-60. Bricogne, G. & Irwin, J. (1996). Maximum-likelihood structure refinement: theory and implementation within ... 842-856. Murshudov, G. N., Vagin, A. A. & Dodson, E. J. (1997). Refinement of macromolecular structures by the maximum-likelihood ... Acta Cryst. D53, 240-255. Pannu, N. S. & Read, R. J. (1996). Improved structure refinement through maximum likelihood. Acta ...
[more results from section 18.5.4 in volume F]
Relative weighting of diffraction and restraint terms
International Tables for Crystallography (2012). Vol. F, Section 18.5.3.3, p. 502 [ doi:10.1107/97809553602060000859 ]
... value. Methods and application. Acta Cryst. D49, 24-36. Rollett, J. S. (1970). Least-squares procedures in crystal structure analysis. ... Hall & C. P. Huber, pp. 167-181. Copenhagen: Munksgaard. Schwarzenbach, D., Abrahams, S. C., Flack, H. D., Prince, E. & Wilson, A. J. C. (1995). Statistical ...
[more results from section 18.5.3 in volume F]
Statistical descriptors and goodness of fit
International Tables for Crystallography (2012). Vol. F, Section 18.5.2.3, p. 501 [ doi:10.1107/97809553602060000859 ]
... Tables, edited by E. Prince. Dordrecht: Kluwer Academic Publishers. Schwarzenbach, D., Abrahams, S. C., Flack, H. D., Gonschorek, W., Hahn, Th., Huml, K., Marsh, R. E., Prince, E., ...
[more results from section 18.5.2 in volume F]
Effect of atomic displacement parameters (or `temperature factors')
International Tables for Crystallography (2012). Vol. F, Section 18.5.1.3, pp. 499-500 [ doi:10.1107/97809553602060000859 ]
... Scattering power depends on . For B = 20Å2 and d = 4, 2 or 1Å, this factor is 0.54, 0.08 or 0.0001. For d = 2Å and B = 5, 20 or 80Å2, the factor ... and on the resolution . Scattering at high resolution (low d) is dominated by atoms with low B. An immediate ...
[more results from section 18.5.1 in volume F]
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