Calculations / Corrections

Main parameters used on profile calculations are presented here.



Simulation / Refinement mode [Job]

Define the type of job for this pattern


Peak shape [Npr]

Default value for selection of a normalized peak shape function.




The rest of parameters are related about corrections on the calculated profiles



Diffraction geometry [Ilo]

Lorentz and polarization corrections depending of geometry of the diffractometer.



IRF [Res]

Instrumental resolution file is used or not and define the model to use



Preferred orientation [Nor]

Define the model for preferred orientation



External correction integrated / Profile intensities [Cor]

Apply external intensity correction with external file



Absorption correction (T.O.F) [Iabscor]

Type of absorption correction for T.O.F. data



Range of calculation of a single reflection in units of FWHM [Wdt]

Represent the width of calculated profile of a single Bragg reflection in units of FWFH.

Typical values are:



Peaks below this 2Theta limit are corrected for asymmetry [AsyLim]

Peaks below this 2θ limit are corrected for asymmetry



Monochromator polarization correction [Cthm]

Coefficient for monochromator polarization correction



Absorption correction coefficient (μR) [muR]

Absorption correction coefficient μR (μ is the effective absorption coefficient; R the radius or thickness of the sample), used only

for refinement on cylindrical samples and flat samples with symmetrical θ-2θ  scanning (the scattering vector lying within the sample plane).



Incident beam angle at sample surface [PSD]

Incident beam angle at sample surface in degrees


Correction for illuminated area exceeding the sample surface [Sent0]

Theta angle at which the sample intercepts completely the x-ray beam.

Below SENT0 part of the beam doesn't touch the sample and the intensity of reflections below SENT0 have to be multiplied by  the factor:




Fraction of mosaic crystal (Transmission) / Polarization factor [Rpolarz]

The value is the Polarization factor in a synchrotron experiment (Ilo=2) or the Fraction mosaic-crystal for transmission geometry.




Equivalence on PCR file


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