`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)
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