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Finding the averaged density
International Tables for Crystallography (2012). Vol. F, Section 13.4.7, pp. 357-358 [ doi:10.1107/97809553602060000842 ]
... and (13.4.5.11a)]. Here, N is the noncrystallographic redundancy and M is the number of molecules that impinge on the crystallographic ... p-cell asymmetric unit will be (1) the value of m designating which molecular centre is to be associated with that grid point (a special value of m is for solvent) and (2) the p-cell electron ...
Determining the molecular envelope
International Tables for Crystallography (2012). Vol. F, Section 13.4.6, pp. 356-357 [ doi:10.1107/97809553602060000842 ]
... automatically, then the following procedure can be used. The number, M, of such molecules can be estimated by generating all centres ... and (13.4.5.11a). Any grid point whose distance from all M centres is greater than can immediately be designated as being ... mask generation. [Reproduced with permission from McKenna, Xia, Willingmann, Ilag & Rossmann (1992).] An essential criterion for the molecular envelope ...
Averaging the p-cell and placing the results into the h-cell
International Tables for Crystallography (2012). Vol. F, Section 13.4.5.3, p. 356 [ doi:10.1107/97809553602060000842 ]
Averaging the p-cell and placing the results into the h-cell 13.4.5.3. Averaging the p-cell and placing the results into the h-cell Consider averaging the density at N noncrystallographically related points in the p-cell and placing that result into the h-cell. From (13.4.5.7), multiplying by , From ...
[more results from section 13.4.5 in volume F]
The p- and h-cells
International Tables for Crystallography (2012). Vol. F, Section 13.4.4, pp. 354-355 [ doi:10.1107/97809553602060000842 ]
... of an object with icosahedral symmetry. [Reproduced with permission from Rossmann et al. (1992).] The h-cell is used to ...
Phase determination using NCS
International Tables for Crystallography (2012). Vol. F, Section 13.4.3, p. 354 [ doi:10.1107/97809553602060000842 ]
... 13.4.3. Phase determination using NCS The molecular replacement method [cf. Rossmann & Blow (1962); Rossmann (1972, 1990); Argos & Rossmann (1980); Rossmann & Arnold (2001)] is dependent upon the presence ...
Noncrystallographic symmetry (NCS)
International Tables for Crystallography (2012). Vol. F, Section 13.4.2, pp. 352-354 [ doi:10.1107/97809553602060000842 ]
... axes in the plane of the paper (design by Audrey Rossmann). [Reprinted with permission from Rossmann (1972). Copyright (1972) Gordon & Breach.] A product of superimposed ... point symmetry of the noncrystallographic operation. [Reprinted with permission from Rossmann (1990).] There must be space between the confining ...
The program
International Tables for Crystallography (2012). Vol. F, Section 11.1.5, p. 265 [ doi:10.1107/97809553602060000830 ]
... MOSFLM data-processing package (Leslie, 1992). References Leslie, A. G. W. (1992). Recent changes to the MOSFLM package for ... Crystallography, No. 26. Warrington: Daresbury Laboratory. Steller, I., Bolotovsky, R. & Rossmann, M. G. (1997). An algorithm for automatic indexing of ...
Historical background
International Tables for Crystallography (2012). Vol. F, ch. 1.2, pp. 5-12 [ doi:10.1107/97809553602060000805 ]
... help was made available by the parallel work of J. G. White at Princeton University in New Jersey. This was at ... at various lattice shrinkage stages (C, C', D, E, F, G, H, J). Reprinted with permission from Perutz (1954). ... two heavy-atom compounds, H1 and H2, produce negative peaks (Rossmann, 1960). This technique also gave rise to the ...
Fourier analysis of the reciprocal-lattice vector distribution when projected onto a chosen direction
International Tables for Crystallography (2012). Vol. F, Section 11.1.3, pp. 263-264 [ doi:10.1107/97809553602060000830 ]
... fast Fourier algorithm for all integer values between 0 and m/2 (Fig. 11.1.3.2). The Fourier coefficients that best represent ...
The crystal orientation matrix
International Tables for Crystallography (2012). Vol. F, Section 11.1.2, p. 263 [ doi:10.1107/97809553602060000830 ]
... of the oscillation range. Defining the camera axes as in Rossmann (1979), it is easy to show that a reflection recorded ... the coordinates of the centres of the recorded reflections. References Rossmann, M. G. (1979). Processing oscillation diffraction data for very ...
International Tables for Crystallography (2012). Vol. F, Section 13.4.7, pp. 357-358 [ doi:10.1107/97809553602060000842 ]
... and (13.4.5.11a)]. Here, N is the noncrystallographic redundancy and M is the number of molecules that impinge on the crystallographic ... p-cell asymmetric unit will be (1) the value of m designating which molecular centre is to be associated with that grid point (a special value of m is for solvent) and (2) the p-cell electron ...
Determining the molecular envelope
International Tables for Crystallography (2012). Vol. F, Section 13.4.6, pp. 356-357 [ doi:10.1107/97809553602060000842 ]
... automatically, then the following procedure can be used. The number, M, of such molecules can be estimated by generating all centres ... and (13.4.5.11a). Any grid point whose distance from all M centres is greater than can immediately be designated as being ... mask generation. [Reproduced with permission from McKenna, Xia, Willingmann, Ilag & Rossmann (1992).] An essential criterion for the molecular envelope ...
Averaging the p-cell and placing the results into the h-cell
International Tables for Crystallography (2012). Vol. F, Section 13.4.5.3, p. 356 [ doi:10.1107/97809553602060000842 ]
Averaging the p-cell and placing the results into the h-cell 13.4.5.3. Averaging the p-cell and placing the results into the h-cell Consider averaging the density at N noncrystallographically related points in the p-cell and placing that result into the h-cell. From (13.4.5.7), multiplying by , From ...
[more results from section 13.4.5 in volume F]
The p- and h-cells
International Tables for Crystallography (2012). Vol. F, Section 13.4.4, pp. 354-355 [ doi:10.1107/97809553602060000842 ]
... of an object with icosahedral symmetry. [Reproduced with permission from Rossmann et al. (1992).] The h-cell is used to ...
Phase determination using NCS
International Tables for Crystallography (2012). Vol. F, Section 13.4.3, p. 354 [ doi:10.1107/97809553602060000842 ]
... 13.4.3. Phase determination using NCS The molecular replacement method [cf. Rossmann & Blow (1962); Rossmann (1972, 1990); Argos & Rossmann (1980); Rossmann & Arnold (2001)] is dependent upon the presence ...
Noncrystallographic symmetry (NCS)
International Tables for Crystallography (2012). Vol. F, Section 13.4.2, pp. 352-354 [ doi:10.1107/97809553602060000842 ]
... axes in the plane of the paper (design by Audrey Rossmann). [Reprinted with permission from Rossmann (1972). Copyright (1972) Gordon & Breach.] A product of superimposed ... point symmetry of the noncrystallographic operation. [Reprinted with permission from Rossmann (1990).] There must be space between the confining ...
The program
International Tables for Crystallography (2012). Vol. F, Section 11.1.5, p. 265 [ doi:10.1107/97809553602060000830 ]
... MOSFLM data-processing package (Leslie, 1992). References Leslie, A. G. W. (1992). Recent changes to the MOSFLM package for ... Crystallography, No. 26. Warrington: Daresbury Laboratory. Steller, I., Bolotovsky, R. & Rossmann, M. G. (1997). An algorithm for automatic indexing of ...
Historical background
International Tables for Crystallography (2012). Vol. F, ch. 1.2, pp. 5-12 [ doi:10.1107/97809553602060000805 ]
... help was made available by the parallel work of J. G. White at Princeton University in New Jersey. This was at ... at various lattice shrinkage stages (C, C', D, E, F, G, H, J). Reprinted with permission from Perutz (1954). ... two heavy-atom compounds, H1 and H2, produce negative peaks (Rossmann, 1960). This technique also gave rise to the ...
Fourier analysis of the reciprocal-lattice vector distribution when projected onto a chosen direction
International Tables for Crystallography (2012). Vol. F, Section 11.1.3, pp. 263-264 [ doi:10.1107/97809553602060000830 ]
... fast Fourier algorithm for all integer values between 0 and m/2 (Fig. 11.1.3.2). The Fourier coefficients that best represent ...
The crystal orientation matrix
International Tables for Crystallography (2012). Vol. F, Section 11.1.2, p. 263 [ doi:10.1107/97809553602060000830 ]
... of the oscillation range. Defining the camera axes as in Rossmann (1979), it is easy to show that a reflection recorded ... the coordinates of the centres of the recorded reflections. References Rossmann, M. G. (1979). Processing oscillation diffraction data for very ...
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