Dear all,

just a remainder for a less popular (and, sorry, less academic
published) fundamental parameters aproach: raytracing the 
geometric part of fundamental parameters as done in BGMN
www.bgmn.de
(download a free trial version at www.bgmn.de/download.html).
At my opinion, folding the geometric part from partial
divergence functions (as done in the cited papers) has
some minor faults. In addition, the raytracing fundamental
approach describes at now (planar) transmission geometry and
capillar geometry.
If you want a deeper insight into raytracing fundamental
parameters approach, please read
www.bgmn.de/download/srm660a.pdf
And, you may download hundreds of checked str files in BGMN
format for free at
www.bgmn.de/download-structures.html
In addition, PowderCell (a freely available program) may
convert CIF files into BGMN str files.

Just some remark.

J"org Bergmann, (independent) author of BGMN

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