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Figure 2
Relative mean error in kn (a), its standard deviation (b) and (c) R factor between error-free simulated [{F_{\rm obs}}({\bf{s}} )] and [| {\bf{F}}_{\rm model}({\bf{s}} )|] (20)[link] computed using kn values recovered by algorithm 4 (gray), algorithm 2 without second derivatives (orange) and algorithm 2 using second derivatives (blue), plotted as a function of a random Gaussian error introduced to observed [{I_{\rm obs}}] which is expressed through the respective R factor. The black line in (c) shows the initial R factor calculated assuming all kn values are zero.

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ISSN: 2053-2733
Volume 79| Part 4| July 2023| Pages 345-352
https://doi.org/10.1107/S205327332300356X
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