Hi Nick,

Make sure you start with the sum of the phase fractions set to 1 and copy
flags to all histograms.

Wrt exception you are getting, you want to turn off that cell/Dij parameter
you refine.
I am not sure which one is it, Check "Calculated/View LS params" menu. Some
of the parameters have help button next to them.

Cheers,
Sergey


On Tue, Nov 14, 2017 at 3:25 PM, Nick Weadock <nwead...@caltech.edu> wrote:

> Hi,
>
> I am having some issues with a sequential refinement in GSAS. I have been
> following along with the tutorial here: https://subversion.xray.
> aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm to limited
> success.
>
> Previously, I had trouble getting the phase fractions to sum to 1. I would
> put the "wildcard" constraint in as stated in the tutorial, but the phase
> fractions still would not sum to 1 after the refinement. I re-did the
> tutorial and got it to work, however.
>
> I am trying the tutorial again, but have been running into the following
> exception: 'invalid metric tensor \n cell/Dij refinement not advised' I did
> not run into this problem previously.
>
> Has anyone had experience with similar issues in sequential refinement? I
> am trying to perform sequential refinement of my own data, but had the same
> issues with the phase fractions. A colleague performed a sequential
> refinement on the same data but the phase fractions worked out fine for
> them.
>
> I am using the most up to date version of GSAS-II. Any help would be
> greatly appreciated,
> --
> Nick Weadock
> PhD Candidate, Materials Science
> California Institute of Technology
> 1200 E California Blvd, Pasadena, CA 91125
> MC 138-78
> x2520
>
> _______________________________________________
> GSAS-II mailing list
> GSAS-II@mailman.aps.anl.gov
> https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
>



-- 
--
Sergey Ushakov PhD

Staff Research Associate
Peter A Rock Thermochemistry Laboratory and NEAT ORU
University of California at Davis, One Shields Avenue, Chem Annex Rm 4415,
Davis, CA 95616
phone (530) 902-8185
_______________________________________________
GSAS-II mailing list
GSAS-II@mailman.aps.anl.gov
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii

Reply via email to