[GSAS-II] Contribution of individual phase to I_calc

Ivo Alxneit ivo.alxneit at psi.ch
Fri Apr 5 08:03:24 CDT 2019


Dear all

is there a "easy" way to obtain the individual contribution of a single
phase to I_calc in a multi-phase refinement?

I am refining a histogram with several phases. The plot window shows me
I_calc, i.e. the sum of the calculated pattern of all phases, only. To
understand where my refinements go wrong, it would help me to see the
calculated pattern of each phase. I could get this information by noting
the values of all parameters and then simulate all pattern according to
https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Simulation/SimTutorial.htm.

Is there an easier way (via scriptable?)

Just to clarify: I am not interested in Scale or WgtFrac only but in how
the pattern looks like.

Thanks for any suggestions
-- 
Dr. Ivo Alxneit
Catalysis for Energy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/ceg/

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