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