Dear colleagues,
I am a user of Topas 5 and I would like to calculate the difference Fourier map in the Rietveld refinement and then to see the values of e/A3 of the peaks in the difference map. In a Launch Mode, I just add the macro: fourier_map 1 fourier_map_formula = Fobs – Fcalc; and run the program. It works fine and the Rigid Editor window opens and show me the difference map. Peaks in the map are indicated by white balls, so the missing atoms can be easily located. Also the coordinates of the peaks are indicated in the Temporary Output window. However, the values of the peaks in e/A3 are not indicated. My question is: How can I calculate these values in Topas 5? Thank you for any comment in advance, Frantisek Laufek Czech Geological Survey Prague Czech Republic
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