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 5
(a) Representative Rietveld refinement of normalized powder diffraction data of NIST CeO₂ 674 SRM in a fused silica capillary obtained from a single attenuated pulse of XFEL radiation. Insets show enlarged regions of the data at low and high 2θ. (b) Small-box `real-space Rietveld' refinement against the single-pulse PDF obtained from the data in (a). (c) Comparison between diffraction data from a measurement using a single pulse and that averaged over 74 pulses. Insets show enlarged regions of the data at low and high 2θ. (d) PDF data equivalent to the data in (c).

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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