[RMCProfile-users] get_gsas_bragg

Poree Victor Alexis (PSI) victor.poree at psi.ch
Tue Dec 10 12:05:53 GMT 2019


Hello,

That's what I used to get the .back, .inst etc. But it did not generate a .bragg.

Best,

Victor

On 10.12.19, 12:53, "rmcprofile-users on behalf of Martin Dove" <rmcprofile-users-bounces at shadow.nd.rl.ac.uk on behalf of martin.dove at qmul.ac.uk> wrote:

    Why don’t you use data2config to do it?
    
    Best wishes
    
    Martin
    
    > On 5 Dec 2019, at 16:47, Poree Victor Alexis (PSI) <victor.poree at psi.ch> wrote:
    > 
    > Dear all,
    > 
    > I am setting up the starting files to begin my RMCProfile simulation.
    > 
    > I have used GSAS to fit the data (obtained on GEM) under windows (the Mac version is not cooperating). I have generated the .back, .inst etc using the RMCProfile tools. However I cannot obtain the .bragg. I tried using the get_gsas_bragg command but I get the following errors in both Mac and windows (see attachment).
    > 
    > What should I do to solve this and get starting with the RMC?
    > 
    > Best regards,
    > 
    > Victor Porée
    > ----------------------------
    > Laboratory for Neutron Scattering and Imaging (LNS)
    > Paul Scherrer Institut
    > WHGA 142
    > Forschungsstrasse 111
    > 5232 Villligen PSI
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    > victor.poree at psi.ch<mailto:victor.poree at psi.ch>
    > 
    > 
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