>What's the right nickname for the method of structure solution from powders
In Russian we use an equivalent to 'structure decipher'. Sometimes, however, this is really 'structure solution' when we apply vodka in the process ;) ******************************************************* Leonid A. Solovyov Institute of Chemistry and Chemical Technology 660036, Akademgorodok 50/24, Krasnoyarsk, Russia http://sites.google.com/site/solovyovleonid ******************************************************* -------------------------------------------- On Thu, 12/17/15, Lubomir Smrcok <uachs...@savba.sk> wrote: Subject: structure solution terminology To: rietveld_l@ill.fr Date: Thursday, December 17, 2015, 5:05 AM 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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