RECETOX / recetox-aplcms

This is a custom fork of apLCMS containing adaptations for large scale studies.
GNU General Public License v2.0
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Implement rawRR backend to read data from raw files #186

Open hechth opened 1 year ago

hechth commented 1 year ago

Use the rawRR package to implement a backend reading .raw files into aplcms. The package is described here (https://pubs.acs.org/doi/10.1021/acs.jproteome.0c00866) and is available on bioconductor - there is also a package https://github.com/fgcz/MsBackendRawFileReader to read this with spectra, but I'm not sure if this is actually easier than using the rawrr package directly (https://github.com/fgcz/rawrr/).

A tutorial on how to use rawRR is available here. The function should also be implemented in the load.lcms.R file and should also come with unit tests of course!

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