IUCr. itself is not always coherent. Sometime the dictionary speaks about "real space" (see the link which Arie has posted: http://www.iucr.org/__data/iucr/cifdic_html/1/cif_core.dic/Iatom_sites_solution_primary.html), sometimes about "direct space" (your link: http://reference.iucr.org/dictionary/Direct_space).
I have tried to introduce new terminology (to left some heritage after myself ...): Intensity extraction based methods (ab initio methods): That's what you need, the Bragg intensities, and then you can do what you want with them (direct methods, Patterson, charge flipping ...) Pattern modelling (model dependent methods): And you choose any algorithm, method to model your pattern. Both have their observations in reciprocal space, and we do not need to discus where your method is working. In any space, in both, wherever you like. I hope that Lubo will be one day satisfied, and can continue writing his paper after the difficult Introduction. Radovan Radovan Cerny Laboratoire de Cristallographie, DQMP Université de Genève 24, quai Ernest-Ansermet CH-1211 Geneva 4, Switzerland Phone : [+[41] 22] 37 964 50, FAX : [+[41] 22] 37 961 08 mailto : radovan.ce...@unige.ch URL : http://www.unige.ch/sciences/crystal/cerny/rcerny.htm -----Message d'origine----- De : rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] De la part de Jonathan WRIGHT Envoyé : jeudi 17 décembre 2015 09:28 À : rietveld_l@ill.fr Objet : Re: structure solution terminology On 16/12/2015 23:05, Lubomir Smrcok wrote: > 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 ?). In protein crystallography one says "molecular replacement" and this is routinely done. For small molecule single crystal data, perhaps the phrase is "dirdif" ? In both of those cases the matching is in a real-space Patterson function, which is effectively comparing patterns. Direct space is defined here : http://reference.iucr.org/dictionary/Direct_space ... so when someone says "structure solution in direct space" it seems fairly clear and surely sounds better than "structure solution by intelligent guesswork" :-) Best, Jon
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
