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This function harmonizes spectra headers

Usage

harmonize_spectra(
  spectra,
  metad = get("metad", envir = parent.frame()),
  mode,
  col_ad = get("col_ad", envir = parent.frame()),
  col_ce = get("col_ce", envir = parent.frame()),
  col_ci = get("col_ci", envir = parent.frame()),
  col_em = get("col_em", envir = parent.frame()),
  col_in = get("col_in", envir = parent.frame()),
  col_io = get("col_io", envir = parent.frame()),
  col_ik = get("col_ik", envir = parent.frame()),
  col_il = get("col_il", envir = parent.frame()),
  col_mf = get("col_mf", envir = parent.frame()),
  col_na = get("col_na", envir = parent.frame()),
  col_po = get("col_po", envir = parent.frame()),
  col_sm = get("col_sm", envir = parent.frame()),
  col_sn = get("col_sn", envir = parent.frame()),
  col_si = get("col_si", envir = parent.frame()),
  col_sp = get("col_sp", envir = parent.frame()),
  col_sy = get("col_sy", envir = parent.frame()),
  col_xl = get("col_xl", envir = parent.frame())
)

Arguments

spectra

Spectra object to be harmonized

metad

Metadata to identify the library

mode

MS ionization mode. Must contain 'pos' or 'neg'

col_ad

Name of the adduct in mgf

col_ce

Name of the collision energy in mgf

col_ci

Name of the compound id in mgf

col_em

Name of the exact mass in mgf

col_in

Name of the InChI in mgf

col_io

Name of the InChI without stereo in mgf

col_ik

Name of the InChIKey in mgf

col_il

Name of the InChIKey without stereo in mgf

col_mf

Name of the molecular formula in mgf

col_na

Name of the name in mgf

col_po

Name of the polarity in mgf

col_sm

Name of the SMILES in mgf

col_sn

Name of the SMILES without stereo in mgf

col_si

Name of the spectrum id in mgf

col_sp

Name of the SPLASH in mgf

col_sy

Name of the synonyms in mgf

col_xl

Name of the xlogp in mgf

Value

The harmonized spectra

Examples

NULL
#> NULL