But the original question was: 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 ? That's what we do with RMC in practice. We use RMC to create models and then compare with experimental patterns. Mike
Professor A M Glazer Department of Physics Parks Road Oxford OX1 3PU United Kingdom Tel/Fax: 44 1865 272290 Mobile: 0778 696 0537 ****************************************** Vice-President of the International Union of Crystallography Emeritus Professor of Physics and Emeritus Fellow of Jesus College Oxford Visiting Professor at the University of Warwick Crystallographer ****************************************** " Je ne te parlerai que cristaux" L. Pasteur (1850) http://ukcatalogue.oup.com/product/9780198744306.do -----Original Message----- From: Radovan Cerny [mailto:radovan.ce...@unige.ch] Sent: 17 December 2015 11:03 To: Mike Glazer <mike.gla...@physics.ox.ac.uk>; Lubomir Smrcok <uachs...@savba.sk>; Leonid Solovyov <l_solov...@yahoo.com> Cc: rietveld_l@ill.fr Subject: RE: structure solution terminology RMC covers only a part of the "Direct space methods", not for example methods using evolution algorithms. 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 Mike Glazer Envoyé : jeudi 17 décembre 2015 11:49 À : Lubomir Smrcok; Leonid Solovyov Cc : rietveld_l@ill.fr Objet : RE: structure solution terminology This all sounds like Reverse MonteCarlo (RMC) modelling. We have used this with PDF analysis. Mike Glazer
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