Using "|Fobs|" extraction with Fullprof may provide uncomplete lists of hkl for some high symmetry space groups . For instance, using Im3 produces a .fou file in which one reflection of the couples hkl/hlk disapear : 0 1 1 11.30 0.15 0 0 2 16.02 0.51 1 1 2 5.00 0.77 0 2 2 86.60 0.05 0 1 3 66.52 0.06 _ 2 2 2 117.23 0.09 1 2 3 71.34 0.04 _ 0 0 4 146.08 0.14 Although the .fou file in structure refinement mode is OK : 0 1 1 2.83 0.04 0 0 2 4.00 0.13 1 1 2 1.25 0.19 0 2 2 21.65 0.01 0 1 3 22.18 0.02 - 0 3 1 7.82 0.02 - 2 2 2 29.30 0.02 1 2 3 24.22 0.01 - 1 3 2 7.02 0.01 - 0 0 4 36.52 0.03 Anyway, since they exactly overlap, they should have the same |F| if they are equipartitioned. So that I do not know if this is intentional or not. However, depending on what you want to do with such data, you should be aware of the hkl list incompleteness in "|Fobs|" extraction mode. Bug or not bug ? Armel Le Bail - Universit� du Maine, Laboratoire des Fluorures, CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France http://www.cristal.org/
