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 than refined it. Take time to produce clean samples, more time to understand unexpected features that are "not of interest", and even more time to measure and define the background with a minimum of extra parameters. Computer programs should not be sausage machines. Alan ________________________________ Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com +33.476984168 VAT:FR79499450856 http://NeutronOptics.com/hewat _______________________________ On Mon, 25 Apr 2022, 11:20 Magnus Sørby, <m...@cenate.com> wrote: > 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 Fullprof? I’ve found this possibility very useful in Topas > for dealing with features in the datasets that are not of interest and not > possible to possible to describe with a crystalline phase e.g. diffuse > scattering from an amorphous component. > > > > I’m aware of the option to include a self-defined background (.bac file) > with refinable scale, but this is time-consuming workaround. > > > > Best regards, > > Magnus > > > > ---- > > Magnus H. Sørby, PhD > > Senior Scientist - Materials Science and Analytical Chemistry > > Cenate AS > > Norway > > > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list <alan.he...@neutronoptics.com > > > Send commands to <lists...@ill.fr> eg: HELP as the subject with no body > text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > >
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
