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Figure 1
(a) Observed structure factors squared [F_{\rm obs}^2] shown as a function of calculated structure factors squared [F_{\rm calc}^2]. The gray dotted line shows the ideal correlation of 1. (b) Mean intensity divided by the standard uncertainty of reflections 〈I/σ〉. Dotted gray horizontal and vertical lines show the I > 3σ intensity cutoff used in the multipole model and the 1.17 Å−1 resolution cutoff used in some of the comparisons in this paper. Colored lines show the average 〈I/σ〉 of each dataset for all reflections. (c) Merging R factor, Rint, as a function of resolution. Dotted gray horizontal and vertical lines show the 15% quality line and the 1.17 Å−1 resolution cutoff used for comparisons.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 79| Part 5| October 2023| Pages 380-391
https://doi.org/10.1107/S2052520623006625
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