r-maldiquant
Just noticed this on Bioconda
r-maldiquant a complete analysis pipeline for matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) and other two-dimensional mass spectrometry data. In addition to commonly used plotting and processing methods it includes distinctive features, namely baseline subtraction methods such as morphological filters (TopHat) or the statistics-sensitive non-linear iterative peak-clipping algorithm (SNIP), peak alignment using warping functions, handling of replicated measurements as well as allowing spectra with different resolutions.
To install
conda install -c bioconda r-maldiquant
More details here http://strimmerlab.org/software/maldiquant/index.html
There are more spectroscopy applications here
blog comments powered by Disqus