>Your suggestion to create a new group (again, see above) is neither
>reasonable nor quite fair. I wonder why have you forgotten the times when
>people presenting their Rietveld refinements were considered by many
>(single-) crystallographers as fools and recomended to do something more
>"reasonable". I am afraid you are approaching their position, though still
>very slowly.
Anyway, Rietveld method users have created a new group ! I do
not consider molecule locators as fools (your word, not mine). I
do find them quite reasonable and have no recommendation about
what they should do. I do think that they will really form soon a special
interest group, why not ? Why this would be unfair ?
Nevertheless, the Nhkl/Nxyz ratio is something that will continue
to help to estimate credibility and accuracy of refined crystal
structures. This is a constant in crystallography that cannot be
rubbed out, the way to distinguish between good and bad horses.
There will be some good horses of which the structures will
be determined by "molecule location", these will have
Nhkl/Nxyz >10 if single crystals or >20 if powder data. This
is simply common sense. Other will be rigid-body/restrained/
constrained, with no chance to give real interatomic distances.
>It is my privilege to invite you all to continue this discussion on a
>more friendly basis during our micro-symp in Prague in August.
Friendly is not appropriate. The discussion will be formal in Prague.
Discussion in this mailing list can (should) be very informal. More
peoples among the 300(?) or so subscribers should give their opinion
without fear. I observe that habits (to stay silent) are hard to change
in scientific Newsgroups and mailing lists.
An official congress is a quite different place for discussing.
I will be ultra serious at ECM-18 :-C. Anyway, I think I am always
polite in choosing my words, if not this is due to misunderstanding
on my side. So, don't expect that this discussion will continue this
way during your micro-symp in Prague. It would be better to
continue this discussion here, in an informal way. I may help
you to defend your point, but what is your point ?
Armel