nontarget (1.5)

Detecting, Combining and Filtering Isotope, Adduct and Homologue Series Relations in High-Resolution Mass Spectrometry (HRMS) Data.

http://cran.r-project.org/web/packages/nontarget

Screening a HRMS data set for peaks related by (1) isotope patterns, (2) different adducts of the same molecule and/or (3) homologue series. The resulting isotopic pattern and adduct groups can then be combined to so-called components, with homologue series information attached. Also allows plotting and filtering HRMS data for mass defects, frequent m/z distances and components vs. non-components.

Maintainer: Martin Loos
Author(s): Martin Loos

License: GPL-2

Uses: Does not use any package

Released over 4 years ago.