Generated Extracted Ion Chromatographs using mzR

Extract ion abundances per scan for a set of m/zs from a single sample.

tidy_mzR_EICs(ms_file_path, mzroll_db_path = NULL, mz_tbl, clamr_config)

Arguments

ms_file_path

Path to an mzXML, mzML, netCDF or mzData file

mzroll_db_path

path to a .mzrollDB SQLite file.

mz_tbl

a tibble/data.frame containing one row per m/z of interest, with this mz being specified by a variable "mz"

clamr_config

a named list of mass spec parameters with special formatting of instrument tolerances generated by build_clamr_config.

Value

mz_tbl with a nested list of EICs named "eic"