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Overall R1 agreement factors (%) for structure refinements with experimental (xSFex) or theoretical (xSFth) X-ray diffraction data sets truncated to various resolutions (d min = 0.8, 0.6, 0.4 Å) using various scattering models (xIAM, xTAAM) and sets of refined parameters (options 1, 2, 3 or 4).
