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Figure 5
Evolution of XFH patterns with increasing root-mean-square displacements. (a) Holographic oscillations as a function of scattering angle simulated from a simple Mn–Mn dimer at different relative root-mean-square displacement values, χH, and (b) their corresponding damping factors. Inset: spherical projection of the hologram calculated from the Mn–Mn dimer. (c)–(f) Evolution of the Mn Kα holograms calculated from the OEC of PSII using different χH values: (c) Mn Kα holograms simulated without thermal vibrations, and those with χH = 0.35 Å2 (d), χH = 0.60 Å2 (e) and χH = 2.00 Å2 (f).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 30| Part 2| March 2023| Pages 368-378
https://doi.org/10.1107/S1600577522011833
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