:*rietveld_l-requ...@ill.fr *On
Behalf Of *Alan W Hewat
*Sent:* 25 April 2022 15:50
*To:* rietveld_l@ill.fr
*Subject:* Re: Introduction of non-structural peaks in Fullprof
Dear Thierry and Magnus.
Introducing an extra pseudo-phase, and then editing out all the peaks
you don't want, is inge
OK Magnus, I see your point. But making a background file is not very work
intensive, even for lots of samples. It's just clicking on points on a
computer plot, and if its diffuse/disorder scattering the background will
only vary slowly. If you only have a couple of extra peaks, you can also
exclud
regards,
Magnus
From: rietveld_l-requ...@ill.fr On Behalf Of Alan W
Hewat
Sent: 25 April 2022 15:50
To: rietveld_l@ill.fr
Subject: Re: Introduction of non-structural peaks in Fullprof
Dear Thierry and Magnus.
Introducing an extra pseudo-phase, and then editing out all the peaks you don't
Dear Magnus,
Here is a way to fit independent peaks in FullProf :
1. edit .pcr file and add for every independent peak an artificial phase
to treat in Profile Matching refinement mode (Jbt=2 and Irf=0). You can
use P m m m space group for example and adjust the a parameter to fit
with
IMHO, it's not a good idea to introduce independent peaks with refinable
positions, intensities, shapes and other parameters, simply to reduce your
R-factor or save time. You risk reducing the confidence you can have in
your structural parameters.
That is why Rietveld defined the background rather
