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yguitton / metaMS

data processing for MS-based metabolomics
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Check relInt function in HRMS #32

Open jsaintvanne opened 1 year ago

jsaintvanne commented 1 year ago

We were working to add a ndigit parameter for HRMS but the RelInt function use this : 

 common.masses <- pat[pat[, 1] %in% refpat[, 1], 1]
    expI <- pat[pat[, 1] %in% refpat[, 1], 2]
    DBI <- refpat[refpat[, 1] %in% pat[, 1], 2]

This compare exact masses but in HRMS it could be better with a mass tolerance deviation maybe ?

jsaintvanne commented 1 year ago

This close PR could help to add ndigit param https://github.com/yguitton/metaMS/pull/29