Complete-linkage cluster algorithm

Allen, F. H., Doyle, M. J., and Taylor, R. Automated conformational analysis from crystallographic data. 2. Symmetry-modified Jarvis-Patrick and complete-linkage clustering algorithms for three-dimensional pattern recognition. Acta Cryst. B47, 41-49 (1991). 

Allen, F.H. Doyle, M.J. Taylor, R. Automated Conformational Analysis from Crystallographic Data. 2 Symmefry-Modified Jarvis-Patrick and Complete-Linkage Clustering Algorithms for 3-D Pattern Recognition. Acta Crystallogr., 1991, B47, 41-49. 

In the first complete linkage analysis, the interaction term (layers, 1/1, float) was assigned the same weight as any of the other relevant attributes. The algorithm yielded three clusters (Figure 3) when there was only one match (or equivalently, when the maximum distance between clusters was 12 no matches ). Two of these clusters accounted for only 13 of the 101 location points. Interestingly, 11 of these 13 points were precisely those and only those points that revealed no pseudomorphs. The other two points were those for which pseudomorphic evidence could not be identified. As such, these two small clusters were taken together to form the cluster of inde-terminates . When matches were increased to three, the big cluster of 88 location points was subdivided into three smaller clusters. A cluster could represent either a fabric type or a fabric pattern. 

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