Jupyter Notebooks

Launch all notebooks at Binder or access individual notebooks by clicking on the links shown below. Alternatively, you may download notebooks from GitHub and run them in your local environment, or on the Metabolomics Workbench Cloud, following these instructions.

Data normalization and averaging

• Plot distributions of metabolites GitHub Launch Binder
• Normalize data GitHub Launch Binder
• Plot relative log abundance GitHub Launch Binder

Clustering and correlation

Perform clustered heatmap analysis GitHub Launch Binder

Univariate analysis

• Perform volcano plot analysis GitHub Launch Binder

Multivariate analysis

• Perform principal component analysis GitHub Launch Binder
• Perform linear discriminant analysis GitHub Launch Binder
• Perform partial least squares discriminant analysis GitHub Launch Binder

Classification and feature analysis

• Perform random forest analysis GitHub Launch Binder

Retrieving data using MW REST API

• Retrieve study data GitHub Launch Binder
• Retrieve compound data GitHub Launch Binder
• Retrieve named metabolites data GitHub Launch Binder
• Retrieve RefMet data GitHub Launch Binder
• Retrieve gene data GitHub Launch Binder
• Retrieve protein data GitHub Launch Binder
• Calculate exact mass for lipid species GitHub Launch Binder
• Perform m/z search GitHub Launch Binder