I am a newcome, how can I begin my rietveld refinement analysis

2008-11-29 Thread Mingtao Li
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

2008-11-29 Thread Leonid Solovyov




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]