The package provides functionality to extract isotopic peak patterns from raw mass spectra. This is done by fitting a large set of template basis functions to the raw spectrum using either nonnegative least squares or least absolute deviation fittting. The package offers a flexible function which tries to estimate model parameters in a way tailored to the peak shapes in the data. The package also provides functionality to process LCMS runs.
|Author||Martin Slawski <email@example.com>, Rene Hussong <firstname.lastname@example.org>, Andreas Hildebrandt <email@example.com>, Matthias Hein <firstname.lastname@example.org>|
|Maintainer||Martin Slawski <email@example.com>|
|License||GPL (version 2 or later)|
|Package repository||View on Bioconductor|
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