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applying instrumental corrections directly to data
mterban #1
Member since Apr 2018 · 2 posts
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Subject: applying instrumental corrections directly to data
I want to test the implications of instrumental effects on some analysis I am doing outside of TOPAS. Is there a way to use TOPAS to correct the measured data directly (e.g. LP correction, axial divergence etc.), rather than applying the effects to a simulated pattern as done with Rietveld refinement?
AlanCoelho #2
Member since Aug 2011 · 290 posts
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TOPAS cant apply convolutions to observed data. It would be a simple thing to implement using the 'user_y' keyword and then allowing convolutions on fit_objs. However, the only work around is to fit many peaks to teh observed data and then convolution what you want into the newly calculated pattern.

To describe the observed data exactly then insert a peak at each data point; fix the peak shapes and then refine the intensities. From there convolution into the calculated pattern can proceed.
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