Cluster Selection - hisl6802/ClusteringToolbox GitHub Wiki

Cluster Selection

A common analysis technique in metabolomics is the selection of clusters from a dendrogram. This functionality streamlines this process by allowing users to select clusters and automatically generating output files of the metabolites found within each cluster.

Input excel sheet

mz	S1	S2	S3	S4	S5	S6	S7	rtmed
	G1	G1	G1	G1	G2	G2	G2
60.04	$I_{11}$	$I_{12}$	$I_{13}$	$I_{14}$	$I_{15}$	$I_{16}$	$I_{17}$	3.21
61.04	$I_{21}$	$I_{22}$	$I_{23}$	$I_{24}$	$I_{25}$	$I_{26}$	$I_{27}$	3.62
.				.				.
.				.				.
.				.				.
62.04	$I_{31}$	$I_{32}$	$I_{33}$	$I_{34}$	$I_{35}$	$I_{36}$	$I_{37}$	3.62
69.99	$I_{41}$	$I_{42}$	$I_{43}$	$I_{44}$	$I_{45}$	$I_{46}$	$I_{47}$	9.33

Cluster File... a subset of the metabolites above.

mz	S1	S2	S3	S4	S5	S6	S7	rtmed
	G1	G1	G1	G1	G2	G2	G2
60.04	$I_{11}$	$I_{12}$	$I_{13}$	$I_{14}$	$I_{15}$	$I_{16}$	$I_{17}$	3.21
61.04	$I_{21}$	$I_{22}$	$I_{23}$	$I_{24}$	$I_{25}$	$I_{26}$	$I_{27}$	3.62