Refinement Information Dialog
This the main dialog about the Refinement procedure. From this dialog you can access to all refinable parameters.
Cycles of refinement [MCYCLE]
Number of cycles of refinement.
Stop criterium of convergence [EPS]
Forced termination when .
A reasonable value is EPS=0.2 or
lower.
Also you can select the stop criterium used in the cirrent job.
Relaxation factors for shifts [RELAX]
There are four types for relaxation factors: atomic parameters, anisotropic displacement factors, profile parameters, global parameters.
Performing the reordering of reflections and which of this are taken into account to calculate the Bragg R-factor.
Patterns
All refinable parameters related
with patterns are concentrate in thiz zone.
Refinement weighting scheme [IWGT]
Reduction factor of number of data points [ISTEP]
If ISTEP>1 the number of data points is
reduced by a factor of ISTEP. Useful
for speed-up preliminary refinements.
Background
Background refinable parameters.
Instrumental
Instrumental refinable parameters.
Microabsorption
Microabsorption refinable
parameters.
Phases
All refinable parameters related
with phases are concentrate in thiz zone.
Atoms
Click on this button to work with
atoms information.
Propagation vectors
Click on this button fro define
propagation vectors in any.
Some refinable phase parameters are
dependend of patterns too. First the user have to select the respective
pattern.
Profile
Profile and related refinable
parameters are concentred here.
Microstructure
All about refinable parameteres
related with microstructure.
HKL Shifts
HKL Shifts parameters are stablished
here.
Further parameters
Defining further refinable
parameters.