[RMCProfile-users] [EXTERNAL] Bragg data form FullProf or GSAS II

[Zhang, Yuanpeng]

Hi Tom,

First, Fullprof is not supported with RMCProfile. Here following is what is currently supported concerning including Bragg data in RMCProfile,

	- GSAS-I
	- GSAS-II
	- Topas

BTW, what I mean by `Fullprof not supported` is that we do not have an interface that can directly translate peak profile parameters from Fullprof to a format that can be understood and used by RMCProfile. However, if the same peak profile and background function is used in Fullprof for your specific refinement as compared to GSAS I or GSAS II, we can probably work together to put parameters you obtained from Fullprof into the format working together with RMCProfile. But that may be a bit involved if not impossible.

Concerning GSAS-II support for RMCProfile, I know there is an interface in the new version of GSAS-II to interact with RMCProfile. There is a tutorial online which you can refer to,

https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/RMCProfile-II/RMCProfile-II.htm

Please feel free to let me know if any difficulties in setting up so I can provide further help.

Cheers,
Yuanpeng

-- 

 
Dr. Yuanpeng Zhang
Neutron Scattering Scientist
Spallation Neutron Source
 
Oak Ridge National Laboratory
1 bethel valley road, Oak Ridge, TN 37830, US
Mobile: +1(865)-335-4818
Email: zhangy3 at ornl.gov | Web: https://www.iris2020.net <https://www.iris2020.net/>

On 11/19/21, 4:15 AM, "rmcprofile-users on behalf of Tomas Northam via rmcprofile-users" <rmcprofile-users-bounces at shadow.nd.rl.ac.uk on behalf of rmcprofile-users at shadow.nd.rl.ac.uk> wrote:

    Dear All,

    I am a new RMCprofile user, and I had a question regarding doing a fit
    including the  Bragg data in the models,

    From the manual and the tutorials I understand that I need at least the
    .bragg, .inst and .back files generated from a GSAS Rietveld refinement.
    However, I did my refinement in FullProff where this files either don't
    exist or the format is not correct. I am also acquainted with GSAS II, but
    from past mailings I saw that  the .TBL function only exist for GSAS.

    Does anyone have any experience with FullProf data to get the required
    files? Or even an idea on extracting the required files from GSAS II?

    Thank you very much for your help,

    Kind regards,
    Tom.



    <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
    Virus-free.
    www.avast.com
    <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
    <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
    -------------- next part --------------
    An HTML attachment was scrubbed...
    URL: <https://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20211119/78082427/attachment.htm>
    _______________________________________________
    rmcprofile-users mailing list
    rmcprofile-users at rmcprofile.org
    http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users