R function to deconvolve ESI MS spectra of multiple charge large biopolymers
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Last seen 4.4 years ago

Hi everyone,

I need to deconvolve ESI MS spectra of large multiple charged biopolymers. Since I do almost all my data processing with R and Bioconductor packages it would be nice to be able to do it with R.

I was wondering if anyone knows whether there is any package/function/script that can do the deconvolution for the low resolution (or very high charge state) case without isotopic pattern resolution and/or the high resolution case with isotopic pattern resolution. I have been searching for a while now but to no avail. There are many algorithms described in literature but apparently no one has implemented them in R and shared them or I am just too ignorant :-)

Thanks for any help.

mass spectrometry R mzR • 531 views

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