[GSAS-II] refinement fit weights over a large range of 2theta
Beatriz Diaz
bdiazmoreno at gmail.com
Wed May 19 17:36:36 CDT 2021
Dear Brian,
Please, I'm fitting a sample over a large range of 2theta with peaks up to
90 degree. The higher the 2theta angle, the weaker the peaks. The fit
favors the intense peaks at lower 2theta. The simulated and experimental
peak positions at larger 2theta are increasingly different. Please, I was
wondering if there is a way I can shift the weights during the
refinement to favor weak peaks at higher 2theta? Looking in the Controls
tab and the GSAS II help page, there was no obvious answer.
I was also wondering what the Sample X correction does, for the Debye
Scherrer case?
And, does it make sense to apply sample X correction to a 1D pattern
obtained from the integration of a standard used to calibrate the detector
image? Shouldn't sample X be perfect..?. It definitely improves the
refinement result, though I also see strong correlations with other refined
parameters such as lambda and zero.
Thanks! Kind regards, Beatriz.
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