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Figure 1
Changes of the indicator Iρ and the parameters kt and kf during the calculation of structure determination in phytantriol [Pn\bar 3m]. Parameter settings are listed in Table 2[link] (a) and Table 3[link] (b). The tops of the figures show the changes in Iρ for 100 independent calculations in various colors. At the bottom of the figures, the changes in kt are shown as a solid black line and kf as a dashed orange line.

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ISSN: 2053-2733
Volume 79| Part 1| January 2023| Pages 51-58
https://doi.org/10.1107/S2053273322010786
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