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An Interactive Cluster Heat Map to Visualize and Explore Multidimensional Metabolomic Data.

Paul H Benton1, Julijana Ivanisevic1, Duane Rinehart1

  • 1Scripps Center for Metabolomics, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, CA 92037, United States.

Metabolomics : Official Journal of the Metabolomic Society
|July 22, 2015
PubMed
Summary
This summary is machine-generated.

XCMS Online introduces an interactive heat map for metabolomic data visualization. This tool overcomes limitations of traditional heat maps by integrating metabolite metadata and enabling deeper data exploration.

Keywords:
Anatomical brain regionsBioinformatics softwareBrain MetabolomicsInteractive cluster heat mapMetabolomicsXCMS Online

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Area of Science:

  • Metabolomics
  • Bioinformatics
  • Data Visualization

Background:

  • Heat maps are standard for metabolomic data visualization, representing ion abundance with color.
  • Traditional heat maps struggle with large datasets, lacking details on m/z and retention time.
  • XCMS Online is a cloud-based platform for processing, analyzing, and visualizing metabolomic data.

Purpose of the Study:

  • To introduce an interactive cluster heat map within XCMS Online.
  • To address limitations of traditional heat maps in displaying large metabolomic datasets.
  • To enhance metabolite data exploration by integrating key parameters and databases.

Main Methods:

  • Development of an interactive heat map feature in XCMS Online software.
  • Integration of clickable elements for zooming and exploring metabolite metadata.
  • Linking interactive heat map features to METLIN metabolite database and other visualizations (EICs, Box-and-whisker plots, mass spectra).

Main Results:

  • The interactive heat map allows users to explore specific metabolite metadata.
  • Users can zoom into regions of interest within the heat map.
  • The tool successfully visualizes and aids in the analysis of metabolomic data from mouse brain regions.

Conclusions:

  • The interactive heat map in XCMS Online enhances metabolomic data visualization and analysis.
  • This tool provides a more informative and interactive approach compared to traditional heat maps.
  • It facilitates deeper insights into complex metabolomic datasets by linking visualization with detailed metadata.