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National MagLab logo

The MagLab is funded by the National Science Foundation and the State of Florida.

ICR Software

Use these software programs to analyze and interpret mass spectrometric data, whether collected at the MagLab or elsewhere.


PetroOrg logo

PetroOrg was developed specifically for petroleum analysis by high resolution mass spectrometry, and is also routinely used for other complex mixtures, including anthropogenic environmental contaminants and natural organic matter. Among its abilities are automated, unequivocal elemental composition assignment for thousands of mass spectral peaks, automated generation of classic petroleomics and van Krevelen diagrams, principal component analysis, and much more. PetroOrg is available free-of-charge to ICR Facility users for noncommercial use.

Download PetroOrg Installer (130 MB)

Installation requires generation of a software key. Contact an ICR staff member to get your key:

Tutorial videos are can be found here

A license must be purchased to use PetroOrg for commercial purposes. For more information, please contact the FSU Office of Commercialization.

Predator Analysis

Predator Analysis allows one to analyze data collected with Predator Data Acquisition offline and interpret the results.

Predator Molecular Formula Calculator

Molecular Formula Calculator allows the user to calculate a list of possible molecular formulas for a given mass, elemental constraints, and maximum allowed error.

Predator SWIFT Generator

Predator SWIFT Generator software allows one to create advanced ion manipulation waveforms through the use of inverse Fourier Transform techniques.


Guppi logo

An R package and web application that expands on the results of top-down proteomic analyses generated by TDPortal or ProSightPD. Protein and proteoform identifications contained in a .tdReport file are analyzed, reformatted and supplemented with data from the UniProt and Gene Ontology knowledgebases, facilitating downstream analysis. Users can generate a custom, self-contained report in a widely compatible .html format, and use the application to visualize pre-fractionated or multiple-replicate data using UpSet plots, intersection degree plots, Waffle plots and heatmaps. These visualizations are useful for evaluation of prefractionation performance and were developed for use with the PEPPI-MS method.

Last modified on 02 September 2022