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General Information
EXPO2014 installation
Tutorials
Preparing input file
Indexing by N-TREOR09
Space group determination
Structure solution by Direct Methods
All steps of structure solution procedure
Extraction of the integrated intensities
Normalization of the integrated intensities
Estimate of structure invariants
Application of the tangent formula
Crystal structure completion and refinement
Structure solution by Direct Space methods
Direct Methods combined with Simulated Annealing
Rietveld Refinement
Commands of EXPO2014 and their use
Description of EXPO2014 commands
Preparation of data
Examples
Crystal Structure Visualization
How to
File
Modify
Select
View
Tools
Info
ab-initio structure
Description of commands
DATA module
DIRECT module
EXTRACTION module
FOURIER/LEAST-SQUARES module
INVARIANTS module
Labelling procedure
NORMAL module
N-TREOR module
PATTERSON module
PHASE module
POLPO procedures
RIETVELD module
indexing
background
FWHM
M20
N-TREOR09
peak-search
Praparation of data
program
SA+DM
construction of the models
Direct Methods
Directives in simulated annealing command
external trial structure
table of connectivity
Simulated Annealing
B(iso)
Cost function
Directives in simulated annealing command
Number of moves
structural model
Space group Determination
extinction symbols
extracted intensities
full pattern decomposition
indexation step
input file
Wilson method
Strategies
failure
RBM
RES
Structure Solution
Direct Methods
Directives in extraction
Directives in fourier command
Directives in invariants command
Directives in normal command
Directives in phase command
E-map
extraction
figure of merit
fourier
invariants
normal
phase
quartets
RBM
structure factor amplitudes
The convergence procedure
the tangent routine
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