High-quality ultra-fast total scattering and pair distribution function data using an X-ray free-electron laser

Sapnik, A.F.; Chater, P.A.; Keeble, D.S.; Evans, J.S.O.; Bertolotti, F.; Guagliardi, A.; Stockler, L.J.; Harbourne, E.A.; Borup, A.B.; Silberg, R.S.; Descamps, A.; Prescher, C.; Klee, B.D.; Phelipeau, A.; Ullah, I.; Medina, K.G.; Bird, T.A.; Kaznelson, V.; Lynn, W.; Goodwin, A.L.; Iversen, B.B.; Crepisson, C.; Bozin, E.S.; Jensen, K.M.O.; McBride, E.E.; Neder, R.B.; Robinson, I.; Wark, J.S.; Andrzejewski, M.; Boesenberg, U.; Brambrink, E.; Camarda, C.; Cerantola, V.; Goede, S.; Hoppner, H.; Humphries, O.S.; Konopkova, Z.; Kujala, N.; Michelat, T.; Nakatsutsumi, M.; Pelka, A.; Preston, T.R.; Randolph, L.; Roeper, M.; Schmidt, A.; Strohm, C.; Tang, M.; Talkovski, P.; Zastrau, U.; Appel, K.; Keen, D.A.

doi:10.1107/S205225252500538X

Figure 4
(a) Rietveld refinement of averaged normalized powder diffraction data of NIST Si 640b SRM loaded in a quartz capillary. Insets show enlarged regions of the data at low and high 2θ. (b) Small-box `real-space Rietveld' refinement against the PDF obtained from the data in (a). The Rietveld and small-box PDF refinements shown in (a) and (b), respectively, were carried out simultaneously using TOPAS Academic software (Coelho, 2018

IUCrJ

Volume 12| Part 5| September 2025| Pages 531-547

ISSN: 2052-2525

https://doi.org/10.1107/S205225252500538X

PHYSICS | FELS

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