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International Tables for Crystallography (2006). Vol. F. ch. 18.1, pp. 369-374
https://doi.org/10.1107/97809553602060000693 |
Chapter 18.1. Introduction to refinement
Chapter index
Atomic displacement parameters (temperature factors)
effect of coordinate errors 18.1.7
group B factors 18.1.7
refinement of 18.1.7
Bias
in refinement 18.1.3
Coordinate errors
effect on atomic displacement parameters 18.1.7
Cross validation 18.1.9.3
Data completeness
and refinement 18.1.6
Data resolution
and refinement 18.1.6
Dynamic disorder 18.1.7
Least-squares methods 18.1.4
Maximum likelihood 18.1.4
Model evaluation 18.1.9
Molecular dynamics
in simulated annealing 18.1.8.3
Normal equations 18.1.8.2
O 18.1.9.2
Observational equations 18.1.8.1
first-order 18.1.8
Monte Carlo 18.1.8
second-order 18.1.8
simulated annealing 18.1.8
zero-order 18.1.8
Outliers
in protein-structure models 18.1.9.1
Preconditioned conjugate-gradient method 18.1.8.3
PROCHECK 18.1.9.1
PROLSQ 18.1.8.3
Radius of convergence 18.1.3
Refinement 18.1.1
against intensities 18.1.6
conjugate-gradient method 18.1.8.3
conjugate-gradient method, preconditioned 18.1.8.3
data quality 18.1.6
difference-Fourier method 18.1.2
maximum-likelihood 18.1.4
models 18.1.7
normal equations 18.1.8.2
observational equations 18.1.8.1
radius of convergence 18.1.3
rigid groups 18.1.7
simulated annealing 18.1.8.3
singularity in 18.1.8.4
weighting 18.1.6
Rigid-group refinement 18.1.7
Simulated annealing 18.1.8.3
Singularity in refinement 18.1.8.4
Static disorder 18.1.7
Temperature factors (atomic displacement parameters)
effect of coordinate errors 18.1.7
group B factors 18.1.7
refinement of 18.1.7
TNT 18.1.8.3
Translation, libration and screw tensor 18.1.7
Weak intensity data
inclusion in refinement 18.1.6
Weighting
of data in refinement 18.1.6
WHAT IF 18.1.9.1
X-PLOR 18.1.8.3
XtalView 18.1.9.2