Profile Data Information Dialog

 

 

The information is distributed on three dialog.

 

Data File / Format

 

Name of Data File [FILEDAT]

The name of the pattern file including the extension in case that is different from “.dat”.

 

Format of Data file [INSTRM]

Select the format in the pattern file.

 

Refinement / Simulation

 

 

Pattern [JOBTYP]

Define the type of job for the current pattern.

 

Wavelength [LAMBDA1, LAMBDA2, RATIO]

Define the current wavelengths for actual pattern. The user can select some of them in a list or directly by hand. RATIO is always positive relation.

 

Calculated Pattern

 

 

 

Peak Shape [NPROF]

Define a normalised peak shape function for the current pattern.

 

·        Gaussian

·        Lorentzian

·        Modefied Lorentzian

·        Intermediate Lorentzian

·        Tripled Pseudo Voigt

·        Pseudo Voigt

·        Pearson VII

·        Thompson-Cox-Hastings Pseudo Voigt convoluted with axial divergence asymmetry function

·        Numerical profile

·        T.O.F. Pseudo Voigt convoluted with back-to-back exponential functions

·        T.O.F. Pseudo Voigt convoluted d-spacing

·        Split Pseudo Voigt

·        Pseudo Voigt convoluted with axial divergence asymmetry function

 

 

Scattering Variable [IXUNIT]

The unit for actual pattern file.

 

 

Calculated Pattern[THMIN, THMAX, STEP, WDT, ALPSD]

Introduce the Min, Max and Step values of the scattering variable and the step.

 

WDT represents the width (range) of calculated profile of a single Bragg reflection in units of FWHM (typically 4 for Gaussian and 20-30 for Lorentzian, 4-5 for TOF).

 

ALPSD is the incident beam angle at sample surface. (Degrees)