Ruby interface to the OpenBabel ruby bindings similar to pybel
Implements Savitzky-Golay filters in ruby (and eventually in NMatrix)
Lipid classification tool
Extract isotope envelopes for protein turnover studies
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.
for working with mass spectrometry lipidomics data (right now shotgun style data)
mspire library to handle molecular formulas (including an optional charge state), complete with relevant chemical properties such as mass, m/z, and isotope distribution.
mass spectrometry proteomics in ruby
mspire library holding constants for mass lookup
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
various scripts used by the princelab for data processing
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.
Tools for working with mass spectrometry related ontologies (obo files).
Simple Quantitation Of Omics Slightly Handy
enhances the gnuplot gem with multiplot capability
A pepxml and mzml feature mapping and extraction utility
Dynamic Isotope calculations
An mspire library for working with SEQUEST related data (.srf files, .sqt files, etc).
Automates submission of searches to a mascot server
mspire library for dealing with identifications from mass spectrometry
A parser for Mascot DAT files
Performance metric tool for LCMS and MS experiments.
Reads Thermo SLD (sequence) files that contain the information about the sequence of mass spectrometry runs.
Match Predicted Fragments with Mass Spectra
Piecewise Cubic Hermite spline interpolation methods for ruby
A KDE implementation in ruby