[GSAS-II] Tail clipping in simulated patterns

[Toby, Brian H.]

Hi Howie,

  Yes GSAS-II does not compute the peak contribute across the entire pattern. To do so would be very computationally expensive for patterns with thousands or tens of thousands of reflections (or more!).

   The example you have simulated, where you are looking at a signal that is 10**3.5 below the peak intensity, is not realistic of any type of real powder experiment. The peaks are cut off well below the sensitivity limit for even the highest signal-to-noise experiment that I could imagine.

Brian


On Apr 23, 2020, at 10:01 AM, Joress, Howie (Fed) via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:

Hi,

I am new to GSAS-II.  I am trying to use it to create a set of simulated diffraction patterns using the standard simulation method.  I am interested in looking at simulations of small peaks next to large peaks.

I am having an in the way it is modeling the peak tails.  It looks like it is clipping them, leading to some artifacts around the background.  I think I need to widen the range that the model for each peak is covering.  Is there anyway to remove these artifacts?

Thanks,
Howie Joress
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