Hi,
I feel I have a problem with terminology. What's the right nickname for
the method of structure solution from powders, which instead of analyzing
electron (nuclear) density shuffles atoms or molecules around a cell and
compares experimental and calculated patterns ? It could be well used also
for single crystal data, I know, but it is not routinely done (yet ?).
I remember that colloquially used phrase "structure solution in direct
space" woke me up several times during plenary lectures at several
conferences. What are we having in direct space ? IMHO just electron
(nuclear) density. Its FT is our diffractogram so that if we fit
diffractogram, are we still in direct space ? Of course, reciprocal space
is a pure math and diffracted beam is quite realistic (BTW, are
there photons also in reciprocal space :-) ?). But in which space are we when doing any
crystallographic calculation ? OK, OK, you know what I am asking ... no
bad jokes, please.
May I ask for your 2 cents ?
Thanks,
Lubo
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