Split peak shapes

fred

Hi everyone,

I'm having trouble doing split PV functions for individual peaks.
When I do a symmetric PV function as follows everything runs fine

xo_Is xo @ 50` I @ 13` peak_type pv pv_lor = pv_lor_a; pv_fwhm = pv_fwhm_a;

But when I try to do the same for the split PV function I get the error "Exception caught"

xo_Is xo @ 50` I @ 13` peak_type spv spv_h1 = spv_h1a; spv_h1 = spv_h2a; spv_l1 = spv_l1a; spv_l2 = spv_l2a;

Is there something I've missed?

Thanks,
Fred

alancoelho

What limits have you put on the peak shape parameters. For example the Lorentzian parameters should evaluate to a number between 0 and 1. The half width parameter should be positive.

fred

Absolutely none. I'll try putting some in and let you know if it makes a difference. Thanks.

fred

Hi Alan,

Thanks for the response. So I tried putting in the corresponding min/max values and it hasn't made a difference, still getting the same error without any refinement steps. Any other suggestions?

Thanks,
Fred

alancoelho

Hi Fred

Can you send me the INP and data file please so that I can have a look
cheers
alan

sobhsepid

Thanks for the response.