mixed displacement parameters model: how legitime is it?

Dear Rietveld Community, I'm concerned about the question of "mixed" description of a model having typical(?) combination of light and heavy scattering atoms, in which, ADPs are invoked for the latter, while former are still with IDPs. The past (seems, more often) and present practice in single

Re: Restraining structure model and reporting CIF

Hi Tony, > 1) We are refining an organic structure against synchrotron powder data > using TOPAS4. The fitting is pretty good in terms of R factors and > molecular geometry. However, we find that there are some unusual (I > believe, wrong) intermolecular distances in the model. For instance, >

Re: Stoichiometry and occupancy fractions of solid solutions

Good luck with your project! Cheers, Artem > Dear Artem, > > > Thank you very much for pointing me to these resources. They have also > been extremely useful. > > Have a wonderful holiday and a happy new year. > > > Kind regards, > > > Othman > > > From:

modification of TOPAS reporting macro

Dear Colleagues, Has anybody tried to modify TOPAS macro Create_hklm_d_Th2_Ip_file(file, wI): phase_out file load out_record out_fmt out_eqn { %3.0f = H; %3.0f = K; %3.0f = L; %3.0f = M; %11.5f = D_spacing; %11.5f = 2 Rad Th; %11.5f\n =

Non FATAL END in Fullprof

Dear Rietvelders, I've faced with problem editing pcr-file that lead to error message Non FATAL End of file !, logical unit: 1. After the check of a syntax of working pcr-templates, a problem remains still. What could be an issue? Best Regards, Artem

Re[2]: Polarization factor por Ge (111) monochromator

[rietveld_l-requ...@ill.fr] on behalf of Artem Babaryk [baba...@bigmir.net] Sent: 06 April 2014 20:56 To: Josu Friedrich Cc: rietveld_l@ill.fr Subject: Re: Polarization factor por Ge (111) monochromator Dear Josu, Somethimes browsing the Rietveld list archive I'm strengthening myself

Re[4]: Polarization factor por Ge (111) monochromator

of lateral thinking to cancel out the effect of capillary absorption - answers on a postcard! Pam -Original Message- From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of Artem Babaryk Sent: Sunday, 06 April, 2014 4:21 PM To: Julian R Tolchard Cc

card #04-017-70854

Dear Rietvelders, I'm seeking the information on the card JSPDS card #04-017-70854. Could anybody provide a retrieve of it? Thank you! With Best Regards, Artem ++ Please do NOT attach files to the whole list

Re[2]: card #04-017-70854

, Artem Babaryk baba...@bigmir.net wrote: Dear Rietvelders, I'm seeking the information on the card JSPDS card #04-017-70854. Could anybody provide a retrieve of it? Thank you! With Best Regards, Artem ++ Please do

Re[4]: card #04-017-70854

: (631)344-5815 -Original Message- From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of Artem Babaryk Sent: Tuesday, April 29, 2014 3:31 PM To: Peter Stephens Cc: rietveld_l@ill.fr Subject: Re[2]: card #04-017-70854 Gosh, I have been thought

[no subject]

Dear Colleagues, Much indebted to each and everybody for the help with my problem. Thank you! Best, Artem ++ Please do NOT attach files to the whole list alan.he...@neutronoptics.com Send commands to lists...@ill.fr eg: HELP as the

exotic CIF-tag

Dear Rietvelders, I am looking for the exact definion of '_gsas_i100_meas' tag which appears usually in a CIF output after GSAS runs. Could anybody know it? Thank you, Artem ++ Please do NOT attach files to the whole list