annotator.default {RMassBank} | R Documentation

## Generate peak annotation from peaklist

### Description

Generates the PK$ANNOTATION entry from the peaklist obtained. This function is overridable by using the "annotator" option in the settings file.

### Usage

    annotator.default(annotation, formulaTag)

### Arguments

`annotation` | A peak list to be annotated. Contains columns: `"cpdID","formula","mzFound" ,"scan","mzCalc","dppm", "dbe","mz","int","formulaCount","parentScan","fM_factor","dppmBest", "formulaMultiplicity","intrel","mzSpec"`
`type` | The ion type to be added to annotated formulas ("+" or "-" usually)

### Value

The annotated peak table. Table `colnames()` will be used for the titles (preferrably don't use spaces in the column titles; however no format is strictly enforced by the MassBank data format.

### Author(s)

Michele Stravs, Eawag <stravsmi@eawag.ch>

### Examples

    ## Not run:
    annotation <- annotator.default(annotation)

    ## End(Not run)

[Package RMassBank version 3.0.0 Index]