Ian, are you saying that one might need to know some crystallographic
theory in order to determine space groups? Or can we simply click a few
buttons in a graphical user interface and be done with it?
Jim
On Mon, 15 Dec 2008, Ian Tickle wrote:
But that only means that the SF contribution from that pair of molecules
in the unit cell is zero for (00l) l=odd reflections. Depending on the
crystallographic symmetry (e.g. if it were 3-fold or higher order) there
may be other pairs for which the SF contribution is non-zero for all
(00l) (but zero for the the odd orders in some other line that is
symmetry-equivalent to (00l)).
...
