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Ab initio phasing
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, ch. 16.1, pp. 413-432 [ doi:10.1107/97809553602060000850 ]
... of the data or up to the resolution shell with I/[sigma](I) = 10. Morris et al. (2004) have extended their work on ... a very simple and computationally efficient modified minimal function,(where I is an arbitrary interval [-r, r], NI is the ...

CRUNCH2 - Karle-Hauptman determinants
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.12.7, p. 429 [ doi:10.1107/97809553602060000850 ]
CRUNCH2 - Karle-Hauptman determinants 16.1.12.7. CRUNCH2 - Karle-Hauptman determinants The program CRUNCH2 is quite different to the other programs mentioned in this section. With the exception of some E-map recycling at the end to complete a substructure, CRUNCH2 operates entirely in reciprocal space by maximizing higher-order Karle-Hauptman determinants ...
     [more results from section 16.1.12 in volume F]

Substructure solution for native sulfurs and halide soaks
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.11, pp. 425-426 [ doi:10.1107/97809553602060000850 ]
... solution with SHELXD. Acta Cryst. D58, 1772-1779. Usón, I., Schmidt, B., von Bülow, R., Grimme, S., von Figura ...

Substructure applications
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.10.4, p. 425 [ doi:10.1107/97809553602060000850 ]
Substructure applications 16.1.10.4. Substructure applications It has been known for some time that conventional direct methods can be a valuable tool for locating the positions of heavy-atom substructures using isomorphous (Wilson, 1978) and anomalous (Mukherjee et al., 1989) difference structure factors. Experience has shown that successful substructure applications are highly ...
     [more results from section 16.1.10 in volume F]

Recognizing solutions
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.9.3, pp. 421-422 [ doi:10.1107/97809553602060000850 ]
Recognizing solutions 16.1.9.3. Recognizing solutions On account of the intensive nature of the computations involved, SnB and SHELXD are designed to run unattended for long periods while also providing ways for the user to check the status of jobs in progress. The progress of current SnB jobs can be followed by ...
     [more results from section 16.1.9 in volume F]

Utilizing Pattersons for better starts
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.8, pp. 419-420 [ doi:10.1107/97809553602060000850 ]
... native protein data. Acta Cryst. D49, 18-23. Usón, I., Sheldrick, G. M., de La Fortelle, E., Bricogne, G., di ...

Resolution enhancement: the `free lunch' algorithm
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.7, p. 419 [ doi:10.1107/97809553602060000850 ]
... data sets. J. Appl. Cryst. 40, 456-462. Usón, I., Stevenson, C. E. M., Lawson, D. M. & Sheldrick, G. M. ...

Fourier refinement
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.6, p. 419 [ doi:10.1107/97809553602060000850 ]
... non-centrosymmetical structures. Acta Cryst. 12, 813-815. Usón, I., Sheldrick, G. M., de La Fortelle, E., Bricogne, G., di ...

Random omit maps
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.5.3, p. 419 [ doi:10.1107/97809553602060000850 ]
Random omit maps 16.1.5.3. Random omit maps A third peak-picking strategy involves selecting approximately of the top peaks and eliminating some, but, in this case, the deleted peaks are chosen at random. Typically, one-third of the potential atoms are removed, and the remaining atoms are used to compute . ...
     [more results from section 16.1.5 in volume F]

Parameter shift
Sheldrick, G. M., Gilmore, C. J., Hauptman, H. A., Weeks, C. M., Miller, R. and Usón, I.  International Tables for Crystallography (2012). Vol. F, Section 16.1.4.3, p. 418 [ doi:10.1107/97809553602060000850 ]
Parameter shift 16.1.4.3. Parameter shift In principle, any minimization technique could be used to minimize by varying the phases. So far, a seemingly simple algorithm, known as parameter shift (Bhuiya & Stanley, 1963), has proven to be quite powerful and efficient as an optimization method when used within the Shake-and-Bake ...
     [more results from section 16.1.4 in volume F]

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