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Figure 3
Overlay of input (in blue), observed (target, in orange) and calculated (predicted, in green) spectra. The top panel presents the full-range profiles. The bottom panels focus on two magnified spectral regions.

IUCrJ
Volume 13| Part 6| November 2026|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252526008444