Implicit and undocumented use of single-linkage clustering

ClavelLab / maldipickr

Dereplicate And Cherry-pick Mass Spectrometry Spectra

https://clavellab.github.io/maldipickr/

GNU General Public License v3.0

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Implicit and undocumented use of single-linkage clustering #32

Closed cpauvert closed 10 months ago

cpauvert commented 11 months ago

The clustering approach introduced in v1.1.0 implicitly use the single-linkage clustering (meaning friend-of-a-friends). This typically results in clusters in chain. The minimum similarity within the cluster in not controlled.