[GSAS-II] Torsion angles measurement

[Arianna Lanza]

Hi all,

In refining torsion sequences, what is that refined value in GSAS-II GUI (in Phase/RB Model tab)?
I understand it is not an absolute value but it is the deviation with respect to the input geometry, correct?
Still I am finding differences between the refined values in GSAS-II GUI (in Phase/RB Model tab)
and the angles I can measure with Mercury in the final .cif or with Phase/Draw atoms/compute.
I attach an example.


Thank you for your help
Kind regards
Arianna


,_,.-'´¨´'-.,_,.-'´¨´'-.,_,.-'´¨´'-.,_,,.-'´¨´'-.,_,.-'´¨´'-.,_,

Arianna Lanza, PhD

Center for Nanotechnology Innovation at NEST
Istituto Italiano di Tecnologia
Piazza San Silvestro, 12, 56127, PISA, Italy
+39 050 509732


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