19 December 2016

MagLab develops, shares chemical analysis software

The high-tech tools empower scientists studying petroleum and other molecules to make decisions based on advanced data analysis.

What did scientists discover?

MagLab scientists developed custom software packages that give chemists using ion cyclotron resonance to study environmental and petrochemical samples a simple, automated way to analyze and visualize their data.

The two tools, EnviroOrg and PetroOrg, allow users to view molecular-level compositions of a wide variety of complex chemical mixtures that have been assigned with the highest possible confidence and according to high academic and industrial standards.

Why is this important?

The commercialization of these software platforms gives both academic and industrial scientists access to leading "Big Data" technologies, allowing them to make rapid, informed decisions based on advanced data analysis.

Who did the research?

Yuri E. Corilo 1,2, Ryan P. Rodgers 1,2, Christopher M. Hendrickson 1, Alan G. Marshall 1

1National High Magnetic Field Laboratory, Florida State University; 2Future Fuels Institute, Florida State University.

Why did they need the MagLab?

The unique capabilities of the mass spectrometry instruments at the MagLab were crucial to providing ultra-high-accuracy data to serve as the ideal training sets for software development. The Future Fuels Institute, a petroleum research institute that was spun-off from the MagLab, provided a problem-rich and data-rich environment for developing the PetroOrg software platform, from which EnviroOrg later evolved.

Details for scientists

Funding

This research was funded by the following grants: G.S. Boebinger (NSF DMR-1157490); Future Fuels Institute


For more information, contact Yuri Corilo.

Details

  • Research Area: Chemistry, Geochemistry
  • Research Initiatives: Energy
  • Facility / Program: ICR
  • Year: 2016
Last modified on 19 December 2016