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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