The Prince Laboratory: Mass spectrometry omics (proteomics, lipidomics, and metabolomics)
Implements Savitzky-Golay filters in ruby (and eventually in NMatrix)
Updated Mar 4, 2015
Lipid classification tool
Updated Sep 4, 2014
Extract isotope envelopes for protein turnover studies
Updated Sep 2, 2014
centroid profile spectra
A pure ruby implementation of the Perttu Haimi's implementation of the Rockwood & Haimi 2006 JASMS "Efficient Calculation of Accurate Masses of Isotopic Peaks" method.
Updated Aug 23, 2014
for working with mass spectrometry lipidomics data (right now shotgun style data)
Updated Aug 14, 2014
mspire library to handle molecular formulas (including an optional charge state), complete with relevant chemical properties such as mass, m/z, and isotope distribution.
Updated Aug 3, 2014
mass spectrometry proteomics in ruby
mspire library holding constants for mass lookup
Updated Aug 1, 2014
mspire library that can retrieve (from NIST) and yield element isotope information. Uses Neese biological ratios by default.
Kalman tracker for binless quantification of chromatographic features in mass spectrometry proteomics
Updated Jul 31, 2014
various scripts used by the princelab for data processing
Updated Jul 25, 2014
A copy of Perttu Haimi's implementation of the Rockwood & Haimi 2006 JASMS "Efficient Calculation of Accurate Masses of Isotopic Peaks" method. Includes some fixes which are tracked via version control.
Updated Jul 18, 2014
Updated Jun 25, 2014
Tools for working with mass spectrometry related ontologies (obo files).
Updated Jun 10, 2014
Ruby interface to the OpenBabel ruby bindings similar to pybel
Updated May 27, 2014
Simple Quantitation Of Omics Slightly Handy
Updated May 7, 2014
enhances the gnuplot gem with multiplot capability
Updated May 6, 2014
A pepxml and mzml feature mapping and extraction utility
Updated Mar 5, 2014
Dynamic Isotope calculations
Updated Jan 3, 2014