@princelab

princelab

The Prince Laboratory: Mass spectrometry omics (proteomics, lipidomics, and metabolomics)

  • Ruby interface to the OpenBabel ruby bindings similar to pybel

    Ruby 7 6 Updated Aug 24, 2015
  • Implements Savitzky-Golay filters in ruby (and eventually in NMatrix)

    Ruby 5 3 Updated Mar 4, 2015
  • Lipid classification tool

    Ruby 5 3 Updated Sep 4, 2014
  • Extract isotope envelopes for protein turnover studies

    Ruby Updated Sep 2, 2014
  • centroid profile spectra

    Ruby 1 Updated Sep 2, 2014
  • 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.

    Ruby Updated Aug 23, 2014
  • for working with mass spectrometry lipidomics data (right now shotgun style data)

    Ruby 1 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.

    Ruby Updated Aug 3, 2014
  • mass spectrometry proteomics in ruby

    Ruby 12 4 Updated Aug 3, 2014
  • mspire library holding constants for mass lookup

    Ruby Updated Aug 1, 2014
  • mspire library that can retrieve (from NIST) and yield element isotope information. Uses Neese biological ratios by default.

    Ruby Updated Aug 1, 2014
  • Kalman tracker for binless quantification of chromatographic features in mass spectrometry proteomics

    Ruby Updated Jul 31, 2014
  • various scripts used by the princelab for data processing

    Ruby 2 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.

    C++ 1 Updated Jul 18, 2014
  • fragments molecules

    Ruby 2 3 Updated Jun 25, 2014
  • Tools for working with mass spectrometry related ontologies (obo files).

    Ruby Updated Jun 10, 2014
  • Simple Quantitation Of Omics Slightly Handy

    Ruby Updated May 7, 2014
  • enhances the gnuplot gem with multiplot capability

    Ruby 1 1 Updated May 6, 2014
  • A pepxml and mzml feature mapping and extraction utility

    Ruby Updated Mar 5, 2014
  • Dynamic Isotope calculations

    Ruby Updated Jan 3, 2014
  • An mspire library for working with SEQUEST related data (.srf files, .sqt files, etc).

    Ruby 5 Updated Oct 22, 2013
  • Automates submission of searches to a mascot server

    Ruby Updated Oct 22, 2013
  • mspire library for dealing with identifications from mass spectrometry

    Ruby 1 Updated Oct 22, 2013
  • A parser for Mascot DAT files

    Ruby 3 Updated Oct 22, 2013
  • Performance metric tool for LCMS and MS experiments.

    Ruby 3 2 Updated Sep 12, 2013
  • Options Builder

    Ruby 4 1 Updated Aug 30, 2013
  • Reads Thermo SLD (sequence) files that contain the information about the sequence of mass spectrometry runs.

    Ruby 1 1 Updated Jul 26, 2013
  • Match Predicted Fragments with Mass Spectra

    Java 6 Updated Jul 3, 2013
  • Piecewise Cubic Hermite spline interpolation methods for ruby

    Ruby Updated Jul 2, 2013
  • A KDE implementation in ruby

    Ruby 3 1 Updated Jun 10, 2013