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
· 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
· 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)