An S4 class to represent annotation result.

Slots

ms1.data

MS1 peak table. data.frame.

ms1.info

MS1 information of MS2 data. data.frame.

ms2.info

MS2 information of MS2 data. list.

identification.result

Identification result. list.

match.result

MS1 peak table and MS2 data match result. data.frame.

adduct.table

Adduct table used for annotation. data.frame.

ms1.ms2.match.mz.tol

Parameter for annotation.

ms1.ms2.match.rt.tol

Parameter for annotation.

ms1.match.ppm

Parameter for annotation.

ms2.match.ppm

Parameter for annotation.

ms2.match.tol

Parameter for annotation.

rt.match.tol

Parameter for annotation.

polarity

Parameter for annotation.

ce

Parameter for annotation.

column

Parameter for annotation.

ms1.match.weight

Parameter for annotation.

rt.match.weight

Parameter for annotation.

ms2.match.weight

Parameter for annotation.

path

Parameter for annotation.

total.score.tol

Parameter for annotation.

candidate.num

Parameter for annotation.

database

Parameter for annotation.

threads

Parameter for annotation.

version

Parameter for annotation.