There are example files via:
http://www.ccp14.ac.uk/tutorial/fullprof/
e.g., http://www.ccp14.ac.uk/tutorial/fullprof/philips/le-bail/
Having used templates and not generating a file
from scratch in quite some time, the following
could be flawed.
The first time you do the Profile Match/Le Bail
fit, have JBT = 2 and Irf = 0
When you run the refinement, the new PCR file will
now have Irf = 2 - which tells the program to
reuse/recycle the intensities from the HKL file
it generated in the last round of refinement.
Please email if there are corrections/clarifications
on the above.
Lachlan.
>
>
> Dear Rietveld users:
>
> I am using the new vesion of fullprof for first time. I am trying to
> carry out profile matching fits in cyclic mode. So, my problem is how to
> save the integrated intensities of each cycle?
>
> Thanks for any help
>
> ------------------------------
> Dr. Alejandro Pedro Ayala
> Departamento de Fisica
> Universidade Federal do Ceara
> Campus do Pici, CP 6030
> 60455-760 Fortaleza
> CE - Brazil
> PHONE : 55.85.288.9912
> FAX : 55.85.287.4138
> e-mai : [EMAIL PROTECTED]
> -----------------------------
>
>
--
Lachlan M. D. Cranswick
4th Jan - 16th March 1999 Visiting Scientist
CSIRO Division of Minerals, Melbourne, Australia
Tel: (613) 9545 8500 (switch)
Fax: (613) 9562 8919 [EMAIL PROTECTED]
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703 Fax: +44-1925-603124
E-mail: [EMAIL PROTECTED] Ext: 3703 Room C14
NEW CCP14 Web Domain (Under heavy construction):
http://www.ccp14.ac.uk
