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Figure 2
Comparison between the starting IQ0(ri) values prior to the optimization process and the fitted IQ0(ri) values, with and without the smoothing factor λ. Upper and lower solid black lines, along with shaded area in between, indicate the permissible fitting range for IQ0(ri), spanning five orders of magnitude above and below the starting values. For clarity, the fit results at λ = 0 and λ > 0 are divided by a factor of 100.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 4| August 2025| Pages 1486-1495
https://doi.org/10.1107/S1600576725004315
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