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Results for DC.creator="H." AND DC.creator="A." AND DC.creator="Hauptman" in section 16.1.5 of volume F |
Random omit maps
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 ... the common practice in macromolecular crystallography of omitting part of a structure from a Fourier calculation in the hope of finding an improved ...
Iterative peaklist optimization
International Tables for Crystallography (2012). Vol. F, Section 16.1.5.2, pp. 418-419 [ doi:10.1107/97809553602060000850 ]
... then eliminate some of them, one by one, while maximizing a suitable figure of merit such as The top peaks are ... atoms remain. Use of equation (16.1.5.1) may be regarded as a reciprocal-space method of maximizing the fit to the origin ... function to maximize (Bricogne, 1998). Iterative peaklist optimization provides a higher percentage of solutions than simple peak picking, but ...
Simple peak picking
International Tables for Crystallography (2012). Vol. F, Section 16.1.5.1, p. 418 [ doi:10.1107/97809553602060000850 ]
... E-map peaks where is the number of unique non-H atoms in the asymmetric unit. This is adequate for true ... disorder, will not be visible during the early stages of a structure determination. Furthermore, a study by Weeks & Miller (1999b) has shown that structures ...
Real-space constraints (baking)
International Tables for Crystallography (2012). Vol. F, Section 16.1.5, pp. 418-419 [ doi:10.1107/97809553602060000850 ]
... stereochemical criteria. In macromolecular crystallography, density modification has always played a central role in phasing. A major advance in direct methods for macromolecules (and large molecules ... as in ACORN2, which we will discuss in Section 16.1.12.1.) A consequence of this is that the once-clear dividing ...
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 ... the common practice in macromolecular crystallography of omitting part of a structure from a Fourier calculation in the hope of finding an improved ...
Iterative peaklist optimization
International Tables for Crystallography (2012). Vol. F, Section 16.1.5.2, pp. 418-419 [ doi:10.1107/97809553602060000850 ]
... then eliminate some of them, one by one, while maximizing a suitable figure of merit such as The top peaks are ... atoms remain. Use of equation (16.1.5.1) may be regarded as a reciprocal-space method of maximizing the fit to the origin ... function to maximize (Bricogne, 1998). Iterative peaklist optimization provides a higher percentage of solutions than simple peak picking, but ...
Simple peak picking
International Tables for Crystallography (2012). Vol. F, Section 16.1.5.1, p. 418 [ doi:10.1107/97809553602060000850 ]
... E-map peaks where is the number of unique non-H atoms in the asymmetric unit. This is adequate for true ... disorder, will not be visible during the early stages of a structure determination. Furthermore, a study by Weeks & Miller (1999b) has shown that structures ...
Real-space constraints (baking)
International Tables for Crystallography (2012). Vol. F, Section 16.1.5, pp. 418-419 [ doi:10.1107/97809553602060000850 ]
... stereochemical criteria. In macromolecular crystallography, density modification has always played a central role in phasing. A major advance in direct methods for macromolecules (and large molecules ... as in ACORN2, which we will discuss in Section 16.1.12.1.) A consequence of this is that the once-clear dividing ...
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