oystesf
Hi!
I have an issue with exporting Yobs from TOPAS V5 and V6. It seems like TOPAS is adding noise to the diffraction pattern when I export it. I use the folloing macro to export:
macro Rietveld_Plot(filename)
{
xdd_out filename load out_record out_fmt out_eqn
{
" %11.5f " = X;
" %11.5f " = Yobs;
" %11.5f " = Ycalc;
" %11.5f\n" = Yobs-Ycalc;
}
}
However, if I go through the GUI and use “Save if displayed Yobs, Ycalc, Diff, phases, bkg”, no noise is added. The easy solution is to just use the diffraction and Yobs, but it would be nice do find a proper solution. Do anyone know?
Regards,
Oystein
rowlesmr
I've never seen that.
Just tested in v6, and for my data, it works fine.
Can you post the data & input file you are getting the noise added to?
Matthew
oystesf
Hi,
I actually figured it out! It was connected to “bootstrap_errors”. I don’t know why though, but when I turn it off, the noise is no longer added to Yobs… I think bootstrap_errors is very useful for refinements of several diffraction patterns. Do anyone know a way to circumvent this?
Thanks,
Oystein
rowlesmr
How many is "several"?
Does do_errors works for you, or does it slow things down too much?
oystesf
By several, I mean around 100-150. I use this as it is suggested in the Reference manual and when I run many diffraction patters simultaneously, I prefer to run several cycles to be certain I reach a proper minimum.
Thanks,
Oystein