fredmarlton
Hi all,
I'm trying to do some single peak fitting for PDF in Topas.
I tried doing the following (using one of Phil Chater's macros) in Topas and it didn't work, anyone care to explain why?
xdd input_data
pdf_data
macro pdf_peak(peak_pos, 3.3, peak_area, 1, peak_fwhm, 0.2)
weighting = 1;
start_X 2.5
finish_X 7.5
If I replace the macro with something like "fit_obj = 0.5 Gauss(3.3, 0.2); ..... fit_obj_phase 1" it works.
Also, I was wondering if anyone had any ideas for determining the -4*pi*r*ro_0, (where ro_0 is the average pair density) when just doing single peak fitting? I know the composition of my sample, but does ro_0 change depending on my structure?
Thanks,
Fred
rowlesmr
Hi Fred
What was the error message?
I don't know who the PDF macros works, but try deleting the word "macro".
THat's only used when defining a macro, not using it.
Matthew