Dear All,
I also had a similar issue in my PhD thesis when using the that-time
GSAS: wanting to determing d-spacings of unindexed peaks in
half-interpreted diffraction pattern (it was magnetic superstructure
peaks for which I did not have a model).
I may add a small trick to the technique de
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
Dear Thierry and Alan,
@Thierry: Thank you very much! This is a great solution.
@Alan: I agree that we should strive to use as few and as meaningful refinable
parameters as reasonably possible, not just in Rietveld refinements but in all
kinds of modelling. The task I’m engaged in now is to est
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
