Library selection — select_library • margheRita

Library selection

select_library(
  source = c("margheRita", "MS-DIAL"),
  column = NULL,
  mode = c("POS", "NEG"),
  accept_RI = 10
)

Arguments

source: "margheRita" or "MS-DIAL"
column: column type, only if source=="margheRita". Possible values are: HILIC, LipC8, pZIC, RPLong, RPShort. Based on the type of the column, the retention time of same metabolite could be different.
mode: mode could be set in positive or negative state. positive mode select positive collision energy and mz in positive mode.
accept_RI: numeric parameter. the default value is 10. it is a maximum relative intensity that we keep in library. since low intense peaks could be noise, it is filtering the library by deleting the relative intensity lower then accept_RI.

A list with:

precursors library: it is a list of metabolites which each contains information of retention time and mz with their specific IDs, CAS numbers and names.
lib_peaks_data:it is a list of metabolites which each contains information of collision energy with their specific IDs, CAS numbers and names.
lib_peaks: it is a list of metabolites with same IDs as lib_peaks_data which each contains a list of a peaks with mz and relative intensity.
key_field: the key field of the library