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Features like ms purity, or, more specifically, purify/signal to noise or one peak or a region are also of interest to me. If there are new/specific features/functions we need, if might be useful have them in MSnbase or even another dedicated package.
Yup. Agree. My idea was CompoundDb serves as sort of database backend (with data from Massbank, HMDB etc) and spectra processing/comparison functions needed being added to MSnbase.
Check overlaps/redundancy with the
msPurity
Bioconductor package: https://bioconductor.org/packages/3.9/bioc/html/msPurity.htmlThe text was updated successfully, but these errors were encountered: