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Results for DC.creator="A." AND DC.creator="Podjarny" in section 16.3.4 of volume F |
Phase generation and selection
International Tables for Crystallography (2012). Vol. F, Section 16.3.4, pp. 438-439 [ doi:10.1107/97809553602060000852 ]
... values are considered equally probable. When some phase information for a reflection is available, for example in the form of a probability distribution, it may be used to generate new random ... Second, the phases may be calculated through models. For example, a phase set may be calculated from a model composed ...
Binary functions
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.7, p. 439 [ doi:10.1107/97809553602060000852 ]
... Binary integer programming (BIP) is an effective approach for solving a system of linear inequalities in binary unknowns (0 or 1). Crystallographers are often interested in the study of a region with density values above a certain level, i.e. in a binary function representing this ...
Likelihood-based selection
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.6, p. 439 [ doi:10.1107/97809553602060000852 ]
... Statistical likelihood estimates the probability of reproducing experimental values within a framework of a statistical hypothesis. For example, the likelihood of a trial mask region may be estimated as the probability ...
Few-atoms model approach
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.5, p. 439 [ doi:10.1107/97809553602060000852 ]
... Few-atoms model approach At low resolution, the content of a macromolecular crystal may be represented by a set of large isotropic Gaussian scatterers (pseudo-atoms). The ... More complicated generation rules can be applied as well. For a generated model, a set of structure factors Fcalc(s) ...
Map connectivity
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.4, p. 438 [ doi:10.1107/97809553602060000852 ]
... properties of regions of high electron density, e.g. their connectivity. A visual inspection of continuous regions in Fourier maps and the ... peaks were used for many years to estimate map quality. A formal scheme of the use of connectivity for phase improvement ... resolution phasing as follows (Lunin, Lunina & Urzhumtsev, 2000). For a Fourier synthesis, [rho](r), calculated with the observed magnitudes ...
Histogram of a Fourier synthesis
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.3, p. 438 [ doi:10.1107/97809553602060000852 ]
Histogram of a Fourier synthesis 16.3.4.3. Histogram of a Fourier synthesis The histogram of a Fourier synthesis [rho](r) indicates which values are present ...
Search targets - overview
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.2, p. 438 [ doi:10.1107/97809553602060000852 ]
... level of the Fourier maps. For each trial phase set, a Fourier map can be calculated using experimental magnitudes. Then, the selection rule checks whether it has the features of a correct macromolecular Fourier synthesis or not. This approach has the ... model-related problems. If the phase sets are calculated from a model, then the corresponding calculated structure-factor magnitudes are ...
Generation of the phase sets
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.1, p. 438 [ doi:10.1107/97809553602060000852 ]
... values are considered equally probable. When some phase information for a reflection is available, for example in the form of a probability distribution, it may be used to generate new random ... Second, the phases may be calculated through models. For example, a phase set may be calculated from a model composed ...
Common features of selection criteria
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.8, p. 439 [ doi:10.1107/97809553602060000852 ]
... Lunina, Petrova et al., 2000): (i) The best value of a target may correspond to quite a poor phase set. (ii) The target value for a good phase set may be significantly worse than the ...
International Tables for Crystallography (2012). Vol. F, Section 16.3.4, pp. 438-439 [ doi:10.1107/97809553602060000852 ]
... values are considered equally probable. When some phase information for a reflection is available, for example in the form of a probability distribution, it may be used to generate new random ... Second, the phases may be calculated through models. For example, a phase set may be calculated from a model composed ...
Binary functions
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.7, p. 439 [ doi:10.1107/97809553602060000852 ]
... Binary integer programming (BIP) is an effective approach for solving a system of linear inequalities in binary unknowns (0 or 1). Crystallographers are often interested in the study of a region with density values above a certain level, i.e. in a binary function representing this ...
Likelihood-based selection
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.6, p. 439 [ doi:10.1107/97809553602060000852 ]
... Statistical likelihood estimates the probability of reproducing experimental values within a framework of a statistical hypothesis. For example, the likelihood of a trial mask region may be estimated as the probability ...
Few-atoms model approach
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.5, p. 439 [ doi:10.1107/97809553602060000852 ]
... Few-atoms model approach At low resolution, the content of a macromolecular crystal may be represented by a set of large isotropic Gaussian scatterers (pseudo-atoms). The ... More complicated generation rules can be applied as well. For a generated model, a set of structure factors Fcalc(s) ...
Map connectivity
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.4, p. 438 [ doi:10.1107/97809553602060000852 ]
... properties of regions of high electron density, e.g. their connectivity. A visual inspection of continuous regions in Fourier maps and the ... peaks were used for many years to estimate map quality. A formal scheme of the use of connectivity for phase improvement ... resolution phasing as follows (Lunin, Lunina & Urzhumtsev, 2000). For a Fourier synthesis, [rho](r), calculated with the observed magnitudes ...
Histogram of a Fourier synthesis
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.3, p. 438 [ doi:10.1107/97809553602060000852 ]
Histogram of a Fourier synthesis 16.3.4.3. Histogram of a Fourier synthesis The histogram of a Fourier synthesis [rho](r) indicates which values are present ...
Search targets - overview
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.2, p. 438 [ doi:10.1107/97809553602060000852 ]
... level of the Fourier maps. For each trial phase set, a Fourier map can be calculated using experimental magnitudes. Then, the selection rule checks whether it has the features of a correct macromolecular Fourier synthesis or not. This approach has the ... model-related problems. If the phase sets are calculated from a model, then the corresponding calculated structure-factor magnitudes are ...
Generation of the phase sets
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.1, p. 438 [ doi:10.1107/97809553602060000852 ]
... values are considered equally probable. When some phase information for a reflection is available, for example in the form of a probability distribution, it may be used to generate new random ... Second, the phases may be calculated through models. For example, a phase set may be calculated from a model composed ...
Common features of selection criteria
International Tables for Crystallography (2012). Vol. F, Section 16.3.4.8, p. 439 [ doi:10.1107/97809553602060000852 ]
... Lunina, Petrova et al., 2000): (i) The best value of a target may correspond to quite a poor phase set. (ii) The target value for a good phase set may be significantly worse than the ...
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