MS/MS peaks matching

peak_matching(
  library_list = NULL,
  library_matched_features = NULL,
  RI_sample = NULL,
  ppm_err = 20,
  intensity = 20,
  RI_diff_type = c("rel", "abs")
)

Arguments

library_list: an object structured as the element "lib_precursor" of the list returned by select_library()
library_matched_features: a list of data frame, obtained by check_RT_mass() function. it is contains a list of metabolite with desired retention time and PPM error. each metabolite is a data frame of potential candidates with specific features; Feature_ID, RT_err, RT_flag, ppm_error, mass_status and mass_flag.
RI_sample: it is generated by calc_RI() function in order to turn intensity to relative intensity and filter the spectra by deleting the low intense peaks.
ppm_err: A number with default value of 10. The maximum PPM error must be less than this value. and those above this number will be eliminated.
intensity: maximum relative intensity
RI_diff_type: type of relative intensity difference: absolute or relative

Value

A list with a data.frame of matched_peaks and matrices with scores of all-pairs comparison between peaks