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Check msPurity #36

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jorainer opened this issue Dec 4, 2018 · 2 comments
Open

Check msPurity #36

jorainer opened this issue Dec 4, 2018 · 2 comments

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@jorainer
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jorainer commented Dec 4, 2018

Check overlaps/redundancy with the msPurity Bioconductor package: https://bioconductor.org/packages/3.9/bioc/html/msPurity.html

@lgatto
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lgatto commented Dec 4, 2018

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.

@jorainer
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jorainer commented Dec 4, 2018

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.

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