Hi Shishir,
I'd like to help, but I am not exactly sure what you want.
First, you are asking for "example code".
Does this mean that you want to work in launch mode instead
of using the GUI? If so, why?
Second, it would be important to know why exactly you want to
use simultaneous refinement.
This option only makes sense if you have parameters which should
be the same for different data sets. If, for example, you have
measured the same sample at different temperatures, what would be
the common refined parameters? The lattice parameters are of course
different for different temperatures. If you are doing a Rietveld
fit, will you refine the atomic coordinates? If not, there should
be no need for simultaneous refinement. If yes, I would argue that
the atomic coordinates should differ slightly with temperature.
Again, no need for simultaneous refinement. The only parameter
I could think of whould be some intrumental parameter which shouldn't
change with temperature or the sample measured (e.g. zero shift).
The same arguments would apply for a doping series.
Simultaneous refinement makes sense if you have measured the same
sample with different wavelengths or methods. Whether it is reasonable
to refine a common structure model on a combination of neutron and
XRD data simultaneously is open for discussion. Multiple wavelength
synchrotron data might be a good example for simultaneous refinement.
Another possibility would be a series of phase mixtures composed of
the same phases. If you are interested in refining the structures
of these phases and can't get them phase pure, you might try to
correlate the peak shape and structure parameters to partially
compensate the effects of peak overlap between the different phases.
Best wishes,
Frank
sisir ray wrote:
Hi,
Does any body have an working example code for TOPAS Academic for
simultaneous fitting of different diffractograms obtained at different
temperatures or for different doping concentrations .I really appreciate
your help.
--
thankyou,
Shishir Ray
Graduate Student
