RIET: Re: I am a newcome, how can I begin my rietveld refinement analysis
Moderate self citation alert follows - the practical notes from the Canadian Powder Diffraction Workshop give starting practical on fitting using GSAS which might help guide starting refinements if you following the manual examples. http://www.cins.ca/cpdw/notes.html Lachlan. At 08:11 AM 11/30/2008 +0800, Mingtao Li wrote: Hi, everyone, I am a newcome to Rietveld refinement. Actually I am a student majored in photocatalytic splitting water for hydrogen production. We want to analysis the structures of our photocatalysts via rietveld method. For that purpose we got a X'pert Pro diffractionmeter from Panalytica about 3 years ago. But rietveld is too difficult to start. Now I have read some books and downloaded some programs from ccp14 such as fullprof, checkcell and so on. Also I have tested some examples. However I am still confused. How can I determine the initial value of some parameters such as U, V and W. Maybe I need a Instrumental Resolution Function file, but how can set that file? Can anybody give me some advice about this? thanks a million. -- Mingtao Li State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an, 710049 P.R.China Tel: +86-29-8266 8296 Fax: +86-29-8266 9033 Email: [EMAIL PROTECTED] --- Lachlan M. D. Cranswick Contact outside working hours / Coordonnees en dehors des heures de travail: NEW E-mail / courriel: lachlanc *at* magma.ca Home Tel: (613) 584-4226 ; Cell/mobile: (613) 401-6254 WWW: http://lachlan.bluehaze.com.au/ P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0 (please use clear titles in any Email - otherwise messages might accidentally get put in the SPAM list due to large amount of junk Email being received. If you don't get an expected reply to any messages, please try again.) (Essayez d'utiliser des titres explicites - sans quoi vos messages pourraient aboutir dans un dossier de rebuts, du fait de la quantite tres importante de pourriels recue. Si vous n'obtenez pas la reponse attendue, merci de bien vouloir renvoyer un message.)
I am a newcome, how can I begin my rietveld refinement analysis
Hi, everyone, I am a newcome to Rietveld refinement. Actually I am a student majored in photocatalytic splitting water for hydrogen production. We want to analysis the structures of our photocatalysts via rietveld method. For that purpose we got a X'pert Pro diffractionmeter from Panalytica about 3 years ago. But rietveld is too difficult to start. Now I have read some books and downloaded some programs from ccp14 such as fullprof, checkcell and so on. Also I have tested some examples. However I am still confused. How can I determine the initial value of some parameters such as U, V and W. Maybe I need a Instrumental Resolution Function file, but how can set that file? Can anybody give me some advice about this? thanks a million. -- Mingtao Li State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an, 710049 P.R.China Tel: +86-29-8266 8296 Fax: +86-29-8266 9033 Email: [EMAIL PROTECTED]
Re: I am a newcome, how can I begin my rietveld refinement analysis
At the initial stage you don’t need precise values of U, V, and W. You may set U=0, V=0, and W equal to the squared FWHM of the highest peak. Leonid * Leonid A. Solovyov Institute of Chemistry and Chemical Technology 660049, K. Marx 42, Krasnoyarsk, Russia www.icct.ru/eng/content/persons/Sol_LA www.geocities.com/l_solovyov * --- On Sun, 11/30/08, Mingtao Li [EMAIL PROTECTED] wrote: Hi, everyone, I am a newcome to Rietveld refinement. Actually I am a student majored in photocatalytic splitting water for hydrogen production. We want to analysis the structures of our photocatalysts via rietveld method. For that purpose we got a X'pert Pro diffractionmeter from Panalytica about 3 years ago. But rietveld is too difficult to start. Now I have read some books and downloaded some programs from ccp14 such as fullprof, checkcell and so on. Also I have tested some examples. However I am still confused. How can I determine the initial value of some parameters such as U, V and W. Maybe I need a Instrumental Resolution Function file, but how can set that file? Can anybody give me some advice about this? thanks a million. -- Mingtao Li State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an, 710049 P.R.China Tel: +86-29-8266 8296 Fax: +86-29-8266 9033 Email: [EMAIL PROTECTED]
