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Figure 4
Comparison of `P1-monomer' and `P1-dimer' class separation metrics as a function of integration radius expressed as the scale factor k of the molecular radius RM90. Data are as in Fig. 3[link]. Three scoring criteria were plotted for varying values of k from 0.4 to 1.4: the correlation coefficient between observed and calculated peak prominence (purple), the centroid distance between cluster centres (orange) and the silhouette score (plum), as described in the text. Curves were generated by cubic spline interpolation of six empirical values (shown as scatter points). The three metrics have no units.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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