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 *** This EComStation system uptime is 16 days 23 hours ***