I was able to carry out the fits using the Profile Match/Le Bail method.
However, my problems continues with the cyclic refinaments.
In this option it is defined a file of parameters (input.pcr)
and a group of data (datXX.dat).
This way, with the option JCIL>0, the files of parameters are accumulated
in the file input.rpa . However, the file with the intensities (input.hkl)
is erased in each stage of the fit.
The force brute solution that I found was to use the DOS version (that
doesn't open a new window) and to create a bat file that saves the files
that interest me.
Any more elaborated solution will be very well received.
Alejandro
>
>There are example files via:
> http://www.ccp14.ac.uk/tutorial/fullprof/
>e.g., http://www.ccp14.ac.uk/tutorial/fullprof/philips/le-bail/
Thanks, these tutorials were very useful.
>
>Having used templates and not generating a file
>from scratch in quite some time, the following
>could be flawed.
I don't know anything about this
>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
>
>
