[sdpd] Re: Fullprof2k Problem

["xqliu77" <xqliu77...@yahoo.com.cn>]

Dear Leonid:
   Have you any example PCR file for Npr=6 or where can I find it, I 
cannot find the example in the package of FullProf2k. Thank you!

Best regard,
X.Q. Liu 
> This recommendation is valid for pseudo-voigt, but not for Pearson 
VII.
> The Pearson shape parameter M in Fullprof is calculated as:
> 
> M = Shape1 + 100* X / 2Theta + 10000* Y / (2Theta)**2
> 
> and M should be higher than 0.6 for all 2Theta values, otherwise the
> message "Pearson VII M-value unacceptable!" appears.
> When using Pearson VII, at the initial stages it is better to refine
> only Shape1 (starting from Shape1=1.5) and fix the parameters 
X=Y=0. At
> the final stages X and Y may be also refined but with caution.
> 
> Best,
> Leonid
> 
> 
> 
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