`AnnotdSpectra` object structures the annotation results. It must contain reference spectra (with metadata) along with their reference compound metadata, the query spectra (with metadata), and a hits table linking all three items; the hits table also contains the distance metrics and other variables that may define a hit (e.g. adduct assumed on the query spectrum)

Getters

To obtain the content of any AnnotdSpectra's slot, please use the following methods

  • hits(object): returns a cross-reference dataframe containing the hits along with their proposed adducts and common masses.

  • qrySpectra(object): returns a Spectra object (see Spectra package) containing the query spectra with hits.

  • refSpectra(object): returns a Spectra object with successful reference spectra.

  • refCompound(object): returns a dataframe containing (reference) compound metadata of successful reference spectra.

  • infoAnnotation(object): returns the variables used on the annotation process