Dear Matteo, I am not sure if that helps you, but I like to use Jana for this purpose. With the preliminary indexation, you start a Le Bail refinement in P1 and then use the built-in space group test to find a candidate. - This also accounts for different unit cell settings to a certain degree.
However, Jana also allows to change the space group directly and you can easily check different space groups. Once you set a different space group, its calculated reflections show after the next refinement. If you do not want a refinement, you could simply set the number of cycles to zero. All the Best, Joachim. On 18/02/2022 09:01, Bianchini, Matteo (INT) wrote: Dear all Thanks for the many replies and suggestions. I had checked the links at ccp14, none of which works for me (which is why I specified I am in Germany :) ) UK - http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/ Canada - http://ccp14.sims.nrc.ca/ccp/web-mirrors/lmgp-laugier-bochu/ Australia - ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/lmgp-laugier-bochu/ Matthew’s link works! Thanks! It seems it is the same version of chekcell I have. So nothing newer seems to exist. It’s a pity. I use FullProf a lot, but I don’t think it has something graphical like I am looking for. Fox too is very nice, but same issue, tests the space groups but does not let you “play” with them and the related extinctions. I Will keep looking at other softwares, like Jana, see what I find. Thank you all Matteo -------------------------------------------------------------------------------------------------- Dr. Matteo Bianchini BASF scientist - Lab Team Leader Battery and Electrochemistry Lab - Karlsruhe Institute of Technology Email: matteo.bianch...@basf.com<mailto:matteo.bianch...@basf.com> / matteo.bianch...@kit.edu<mailto:matteo.bianch...@kit.edu> Office Phone: +49 621 60 44852 (BASF) / +49 721 608 26415 (KIT) Mobile: +49 170 5644113 Personal: +49 176 74710480 ________________________________ Da: Alan W Hewat <alan.he...@neutronoptics.com><mailto:alan.he...@neutronoptics.com> Inviato: giovedì 17 febbraio 2022 19:57:19 A: fil...@ill.fr<mailto:fil...@ill.fr> Cc: Bianchini, Matteo (INT) Oggetto: Re: Checkcell or similar Thanks Alain. I also sent my email to Juan. Perhaps FullProf is a bit more than Matteo needs for teaching. Your own interactive applications on https://www.ill.eu/users/support-labs-infrastructure/software-scientific-tools are more appropriate for that. There used to be more web based visual crystallography apps, but changing technology and rivalry has been the death of many, such as those based on Java. Bon courage in finding alternatives. Regards Alan ________________________________ Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com<mailto:alan.he...@neutronoptics.com> +33.476984168 VAT:FR79499450856 http://NeutronOptics.com/hewat _______________________________ On Thu, 17 Feb 2022, 18:32 filhol, <fil...@ill.eu<mailto:fil...@ill.eu>> wrote: Hi Matteo and Alan, I never used CheckCell but I think that Jaen Laugier is stil reachable at <jean.laug...@free.fr<mailto:jean.laug...@free.fr>>. CheckCell was probably developed with an 20 or 30 years old version of Delphi Pascal. If you can obtain the source code I have no idea if it would be easy to recompile it with a modern version of Delphi Pascal. May be the FullProf application of Juan Rodriguez-Carvajal <rodriguez-carva...@ill.fr<mailto:rodriguez-carva...@ill.fr>> offers a suitable equivalent. All the best Alain On 17 Feb 2022, at 18:06, Alan W Hewat <alan.he...@neutronoptics.com<mailto:alan.he...@neutronoptics.com>> wrote: Hi Matteo. Do you mean the old CHEKCELL http://ccp14.cryst.bbk.ac.uk/tutorial/lmgp/chekcellb.htm I am copying this to colleagues who may be able to help you. Regards Alan ________________________________ Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com<mailto:alan.he...@neutronoptics.com> +33.476984168 VAT:FR79499450856 http://NeutronOptics.com/hewat<http://neutronoptics.com/hewat> _______________________________ On Thu, 17 Feb 2022, 15:24 Bianchini, Matteo (INT), <matteo.bianch...@kit.edu<mailto:matteo.bianch...@kit.edu>> wrote:Dear colleagues, I used in the past the checkcell program. I have a version more than 10 years old, and cannot find online a more recent one (or any site to actually download any version of the program from Germany). - Does anyone know if a recent version exist, and where to find it? - Does anyone know an alternative software to use ? Note that this is mostly for teaching purposes; I know many programs can browse through all space groups and help find the best candidates. But I think checkcell had the advantage of being graphical, i.e. one could have the students play around with the different space groups and see what extinctions would exist and whether they would match the experimental data. Thanks in advance Kind regards Matteo ---------------------------------- Prof. Dr. Matteo Bianchini Lehrstuhlinhaber Anorganische Aktivmaterialien für elektrochemische Energiespeicher Fakultät für Biologie, Chemie und Geowissenschaften Bayerisches Zentrum für Batterietechnik (BayBatt) Universität Bayreuth Universitätstraße 30 / Gebäude NWI, Raum 2.0.U1.09 D-95447 Bayreuth Telefon: +49 (0) 921 / 55-4380 E-Mail: matteo.bianch...@uni-bayreuth.de<mailto:matteo.bianch...@uni-bayreuth.de> www.bianchini.uni-bayreuth.de<http://www.bianchini.uni-bayreuth.de> Twitter: @MBianchini87 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com<mailto:alan.he...@neutronoptics.com>> Send commands to <lists...@ill.fr<mailto: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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ————————————— Dr. Alain Filhol (Computer scientist) Institut Laue-Langevin EPN Campus, CS 20156, 71 ave des Martyrs, F-38042 Grenoble cedex 9 <fil...@ill.eu<mailto:fil...@ill.eu>>, Office: ILL50-114 Tel:+33 4.76.20.71.56, Fax: +33 4.76.20.76.48 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com><mailto:alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr><mailto: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/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ -- Dr. Joachim Breternitz Wissenschaftlicher Mitarbeiter (Research Associate) Structure and Dynamics of Energy Materials ________________________________ Helmholtz-Zentrum Berlin für Materialien und Energie GmbH Mitglied der Hermann von Helmholtz-Gemeinschaft Deutscher Forschungszentren e.V. 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