> Is something wrong if the value for NA (pseudo voigt) exceeds unity?
It is absolutely normal for DBWS. And the reason is that the common
behaviour of pV is that the fraction of Gaussian first decreases linearly
and then levels out at the value of 0 (at high angles peaks are just
Lorenzians). DBWS has only the linear decrease implemented (NA+2Theta*NB)
and cannot handle correctly some data sets. With this respect T-C-H pV
is MUCH better and MUCH MORE difficult to work with.
Stan
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Stan(islaw) Gierlotka | High Pressure Research Centre
[EMAIL PROTECTED] | Polish Academy of Sciences
X-Ray Diffraction Lab. | Sokolowska 29, 01-142 Warszawa, Poland
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