Hi. I'm trying to educate myself on powder indexing software by looking into the benchmarking tests performed by Armel Le Bail in 2004 (http://sdpd.univ-lemans.fr/uppw/benchmarks/).
DICVOL04 scores a +1 in manual mode for the A(1) data (raw data from PDF entry 43-1748), meaning that it proposed the correct unit cell as the best one. True enough, the correct unit cell is the first one suggested in the output file (http://sdpd.univ-lemans.fr/uppw/benchmarks/dicvol04/a1bis.txt), but there is another solution in the same output file (solution number 2) with higher FoM (both M(11) and F(11)) and smaller volume. So my question is: Why should the correct unit cell be considered as the best solution in this particular case (assuming that we do not know in advance what the correct unit cell is)? More generally: What determines the order of the solutions proposed by DICVOL04? Magnus H. Sørby post.doc. Institute for Energy Technology Kjeller, Norway
