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.

 

Reflections ordering [IASG]

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.