[GSAS-II] roughness function

[Toby, Brian H.]

Monika,

  I will need to check if a roughness parameter has been put into the code yet. I think not.

  GSAS-II is much more stable than GSAS and does not have damping because it is not needed.

  There are a number of tutorials that can be found in the help menu or here: https://subversion.xray.aps.anl.gov/trac/pyGSAS

   GSAS-II can read GSAS instrument parameter files. It does offer a more straightforward format, but I don't think that has been documented yet. You can write parameters out with that format though. Note that when asked to supply a instrument parameter file, one can press "Cancel" and then select from a default.

   One can export results in various formats from the menu with that name and how to write code to support other formats is documented.

   There is a need for much more documentation, but at present Bob and I are putting much more effort into writing more code. Someday we will catch up, but volunteers are much welcome.

Brian


On Dec 11, 2013, at 10:21 AM, Monica Bolívar wrote:

Dear Colleagues,
I am new in GSAS II and now I start with some refinements in materials previously refined in GSAS. I noticed that there are many differences between GSAS and GSAS II results. Mainly, because some parameters that I refined in GSAS I could not find in GSAS II. For instance, I did not see how to refine roughness. Another question comes from the possibility of acting with damping factors.

I really have many other questions like how to create the instrument file, how to export the data results, how to identify the hkl indices in the plot, etc.. However, a tutorial help to resolved some of these concerns. Someone knows is there a tutorial for GSASII?

I would appreciate any help for a better understanding and use of GSASII.

Thanks in advance,

Mónica


--
Mónica Esperanza Bolívar Guarín
Departamento de Física - ICEx, UFMG
Laboratório  de Cristalografia
Av. Antônio Carlos 6627, Pampulha
Caixa Postal 702
Belo Horizonte, MG
30123-970
Brasil
_______________________________________________
GSAS-II mailing list
GSAS-II at mailman.aps.anl.gov<mailto:GSAS-II at mailman.aps.anl.gov>
https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii

********************************************************************
Brian H. Toby, Ph.D.                            office: 630-252-5488
Senior Physicist/Section Head for Scientific Software
Advanced Photon Source
9700 S. Cass Ave, Bldg. 401/B4192            work cell: 630-327-8426
Argonne National Laboratory
Argonne, IL 60439-4856         e-mail: brian dot toby at anl dot gov
********************************************************************
"We will restore science to its rightful place, and wield technology's wonders... We will harness the sun and the winds and the soil to fuel our cars and run our factories...  All this we can do. All this we will do."

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20131211/cab44fc9/attachment.html>