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Figure 4
Scatter plot of MPEseed versus CORRseed, showing clusters of solved (blue dots) and unsolved (red dots) structures. The green region corresponds to the area defined by MPEseed ≤ 25 and CORRseed ≥ 0.8 where the AI-generated phases can be considered reliable, i.e. sufficiently accurate to approximate the true phases. The yellow region corresponds to the area defined by optimizing the values MPEseed ≤ Q1 and CORRseed ≥ Q3 (Class 1). This region predominantly contains solved structures, which tend to accumulate at CORRseed values close to 1.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 6| December 2025| Pages 1859-1869
https://doi.org/10.1107/S1600576725008271
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