CCP14 Homepage - Tutorials and Examples - Peak Fitting using Xfit-Koalariet for Win95/NT - Be Extra Careful When Using Split Pearson Peaks

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Tutorials and Examples

Peak Fitting using Xfit-Koalariet (Coelho and Cheary) for Win95/NT

Be Extra Careful When Using Split Pearson Peaks

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [XFIT Tutorial Index]

[The reference to use for XFIT or FOURYA in any resulting publications is: Cheary, R. W. & Coelho, A. A. (1996). Programs XFIT and FOURYA, deposited in CCP14 Powder Diffraction Library, Engineering and Physical Sciences Research Council, Daresbury Laboratory, Warrington, England. (http://www.ccp14.ac.uk/tutorial/xfit-95/xfit.htm)]

When using Split Pearson Peaks (PVII), be very careful as when the "m" (shape) values get less than 0.8, you can get very incorrect area values with small "m" values. The reason for this is the peaks have very long tails (e.g., for m=0.6 and H=20 degree, then the tails probably extends a few hundred degrees) and the area you calculate is calculated to infinity as per the PVII equation.
Refer to the equation describing PVII peaks in the XFIT.DOC file that comes with XFIT.

[Tutorials page] | [XFIT Tutorial Index]

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