LC/MS metabolomics data processing

JS Jong Shin
HM Hannan Mir
MK Maaz A. Khurram
KF Kenji M. Fujihara
BD Brian D. Dynlacht
TC Timothy J. Cardozo
RP Richard Possemato
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Clustering was performed using agglomerative hierarchical clustering as implemented by the Plotly graphing package through their dendrogram function (plotly.figurefactory). The linkage criterion used was ward. The dendrogram was paired with a heatmap (plotly.graph_objects) of log2 fold change of metabolites. Source data were imported with the OpenPyXL package, and managed and transformed in a Pandas dataframe.

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