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A visual analysis system for metabolomics data

Philip Livengood
Ross Maciejewski
Wei Chen
David S. Ebert

This is a novel system that enables interactive comparative visualization and analysis of metabolomics data obtained by two-dimensional gas chromatography-mass spectrometry (GCxGC-MS). This system allows the user to produce, and interactively explore, visualizations of multiple GCxGC-MS data sets, thereby allowing a user to discover differences and features in real time. This system provides statistical support in the form of mean and standard deviation calculations to aid users in identifying meaningful differences between sample groups. We combine these with multiform, linked visualizations in order to provide researchers with a powerful new tool for GCxGC-MS exploration and bio-marker discovery.

Release Date:
Data type:
2D, 3D
multiple coordinated views, dynamic color scale adaptation

Project development

Institution: Purdue University Visualization and Analytics Center, Arizona State University, State Key Lab of CAD&CG, Zhejiang University

The Cancer Care Engineering project is supported by the Department of Defense, Congressionally Directed Medical Research Program, Fort Detrick, MD (W81-XWH-08-1-0065) and the Regenstrief Cancer Foundation administered jointly through the Oncological Sciences Center at Purdue University and the Indiana University Simon Cancer Center. This work is supported by the U.S. Department of Homeland Security's VACCINE Center under Award Number 2009-ST-061-CI0001 and under the 973 program of China (2010CB732504), NSFC 60873123, and NSF of Zhejiang Province (N0. Y1080618). Amber Jannasch and Bruce Cooper also provided valuable input, feedback, data sets.