Precise implications for real-space pair distribution function modeling of effects intrinsic to modern time-of-flight neutron diffractometers

Olds, D.; Saunders, C.N.; Peters, M.; Proffen, T.; Neuefeind, J.; Page, K.

doi:10.1107/S2053273318003224

Acta Crystallographica Section A
Acta Crystallographica
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Figure 6
(a) PDFs from reciprocal-space data which have had Gaussian convolutions applied of constant width ( $[\Delta Q = 0.01]$ Å⁻¹, black, and $[\Delta Q = 0.05]$ Å⁻¹, purple) and linearly varying width ( $[\Delta Q/Q = 0.01]$ , light blue). (b) Demonstration of how the PDF produced from the reciprocal-space data which have been convolved by $[\Delta Q/Q = 0.01]$ can be correctly modeled through the calculation of the ideal PDF, which is then itself convolved by a Gaussian of corresponding width ( $[\Delta r/r = 0.01]$ , green).

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ISSN: 2053-2733

Volume 74| Part 4| July 2018| Pages 293-307

https://doi.org/10.1107/S2053273318003224

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