[BioC] protien and peptide mass spectrometry

Nicholas Lewin-Koh nikko@hailmail.net
17 Jan 2003 10:58:44 +0800


Hi,
I have been working with data from LC/MS electron spray mass
spectrometer. I have found the ts structure works very well for dealing
with the raw spectra, but have written my own structures to extend ts
for multiple spectra. The filters in genefilter work only if you have
clean spectra. If you are trying to smooth, deconvolve, and identify
peaks not everything is there in R already. I think there could be some
fun work here putting together a package that has more signal processing
functionality. 
I have written some simple svatsky-golay, and kalman filter routines for
my spectra classes. With some cleaning and massaging they could be a
start for a package to process MS data. Of course some more
sophisticated filters would be needed such as fir and and iir as well as
some wavelet methods.
 
Nicholas