Output intensity from xo_Is phase?

rowlesmr

I have a peak:

	xo_Is 
		xo @  21.9868519`
		peak_type pv
			pv_lor @  0.610774892`
			pv_fwhm @  0.0653475774`
		I @  104.75125`

I want to write the values of the parameters to a file. Get(xo), Get(pv_lor), and Get(pv_fwhm) all work. Get(I) throws an error "Cannot locate I from scale in data structures".

I've tried using Iobs_no_scale_pks, I_no_scale_pks, and I_after_scale_pks. The first fail with the error "Cannot locate Iobs_no_scale_pks from scale in data structures", and the others just give me a value of -0.000000000

I can use Get(numerical_area). I don't know what this value represents, but it seems to work. One problem us that it doesn't have an error associated with it when I use do_errors.

I can use out_prm_vals_on_convergence results.txt, but I'd like to be able to a targeted output of prms.

How can I output the intensity value?

.

As a side note: Is this intensity a peak area?

johnsoevans

Matthew, it's an area. Do a search for area and there are some posts between Alan and alan_jarvis from 2014. I don't know the get command. Can you give the parameter a name? Sorry it's not a more inspired response.

John

rowlesmr

Ta John

I'm being lazy. I'm fitting a bunch of peaks, all independently, and I want to output their details. Having them as @ and outputting as Get(blah) makes the coding easier.

Matthew

alancoelho

This works:

yobs_eqn !aac.xy = 1;
   min 5
   max 15
   del .1
   CuKa5(0.0001)
   
   xo_Is 
      xo 10   I 11
      xo 10.2 I 12
      xo 10.3 I 13
      xo 10.4 I 14
      xo 10.5 I 15
      
      CS_L(100)
      
      phase_out aac.txt append load out_record out_fmt out_eqn
         {
             " %9g" = Xo;
             " %9g\n" = I_no_scale_pks;
         }

rowlesmr

Ta.

I was using out, and not phase_out.

Matthew