Phase improvement by iterative density modification

Zhang, K. Y. J.; Cowtan, K. D.; Main, P.

doi:10.1107/97809553602060000687

International Tables for Crystallography (2006). Vol. F. ch. 15.1, pp. 311-324 | 1 | 2 |
https://doi.org/10.1107/97809553602060000687

Chapter 15.1. Phase improvement by iterative density modification

Chapter index

Atomicity 15.1.2.6

Automated convolution method for molecular-boundary identification 15.1.2.1.2

Conjugate-gradient method 15.1.5.2.1

Constraints

for phase improvement 15.1.5

in density modification 15.1.2.1

nonlinear 15.1.5.1, 15.1.5.2

Density modification 15.1.1

constraints 15.1.2.1

reciprocal-space interpretation of 15.1.3

scaling of observed structure factors 15.1.2.2.4

Diagonal-approximation method 15.1.5.2.3

Electron-density averaging 15.1.2.3, 15.1.2.3.4

Hendrickson–Lattman coefficients 15.1.4

Histogram matching 15.1.2.2

Molecular-boundary identification by automated convolution method 15.1.2.1.2

Noncrystallographic symmetry

determination of 15.1.2.3.2

electron-density averaging 15.1.2.3.4

refinement of 15.1.2.3.3

Nonlinear constraints 15.1.5.1, 15.1.5.2

Perturbation-γ correction 15.1.4.3

Phase combination 15.1.1, 15.1.4

Phase improvement 15.1.1

constraints 15.1.5

Refinement

conjugate-gradient method 15.1.5.2.1

Reflection-omit method 15.1.4.2

Sayre's equation

application to macromolecules at non-atomic resolution 15.1.2.5.2

for phase refinement and extension 15.1.2.5

in real and reciprocal space 15.1.2.5.1

shape function 15.1.2.5.1, 15.1.2.5.2

Scaling

in density modification 15.1.2.2.4

Shape function 15.1.2.5.1, 15.1.2.5.2

Sim weighting 15.1.4.1

Skeletonization 15.1.2.4

Solvent flattening 15.1.2.1

Solvent flipping 15.1.2.1.3, 15.1.4.3

Weighting

Sim 15.1.4.1

σ_A 15.1.4.1

γ correction 15.1.4.3

perturbation-γ approach 15.1.4.3

σ_A weighting 15.1.4.1