This function helps filter out missing isotopcules, unidentified peaks, or select for specific isotopocule.
It can be called any time after orbi_identify_isotopocules() or after reading from an isox file.
By default (i.e. if run without setting any parameters), it removes unidentified peaks and missing isotopcules and keeps all others.
Usage
orbi_filter_isotopocules(
dataset,
isotopocules = c(),
keep_missing = FALSE,
keep_unidentified = FALSE
)Arguments
- dataset
An aggregated dataset or a data frame of peaks (i.e. works directly after
orbi_identify_isotopocules()as well as with a tibble from orbi_get_data(peaks = everything()) or when reading from an IsoX file)- isotopocules
if provided, only these isotopocules will be kept
- keep_missing
whether to keep missing isotopocules in the peaks list (i.e. those that should be there but are not), default is not to keep them
- keep_unidentified
whether to keep unidentified isotopocules in the peaks list (i.e. peaks that have not been identified as a specificic isotopocule), default is not to keep them