Accounting for instrument resolution in the pair distribution functions obtained from total scattering data using Hermite functions

Wang, S.; Gao, M.; Qin, Y.; Zhang, S.; Tan, L.; Dove, M.T.

doi:10.1107/S1600576725004340

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 6
(a) The fitted Qi(Q) function for SmB₆ X-ray total scattering data, with red showing the fitted curve and black (which is almost completely overlapped by the red curve) showing the simulated data. (b) The resultant PDF D(r) for SmB₆ from transform of the fitted Qi(Q) function shown as red, with black showing the original PDF from the simulation configuration.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 58| Part 4| August 2025| Pages 1269-1287

https://doi.org/10.1107/S1600576725004340

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