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Figure 3
(a) Unit-cell dimensions plotted as a histogram to demonstrate overlap between species. (b) Correlation-based HCA using the σ-weighted CC algorithm. (c) Objective function residual (equation 1[link]) for each tested dimensionality. The automatically selected dimension is highlighted, which is the first dimension where the residual drops into the noise level as determined by the algorithm described in Section 2.2[link]. (d) Cosine-angle HCA analysed in two dimensions using the σ-weighted CC algorithm. (e) OPTICS reachability plot for data sets ordered by the cluster that they belong to. A large spike in the reachability distance corresponds to a cluster boundary. (f) Two-dimensional plot of the optimized cosym coordinates with the identified clusters colour-coded. The coordinates have been rotated to align the axes with the eigenvectors derived from principal component analysis. Data sets corresponding to bovine insulin are orange and data sets corresponding to human insulin are blue. Dendrogram links have colours that are randomly allocated and are not representative of groups.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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