:*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
Hi,
I'm playing with Fullprof again for the first time in many years since I've
changed employer and lost my access to Topas.
Is it possible to introduce independent peaks (i.e. peaks whose positions are
not determined by a unit cell) with refinable positions, intensities and shapes
in Fullpro
