convertExampleDF {MetCirc} | R Documentation

## Example data for `MetCirc`: convertExampleDF

### Description

`convertExampleDF` is a `data.frame` which comprises information on a specific metabolite per row stating the average retention time, average m/z, the name of the metabolite, the adduct ion name and the spectrum reference file name. The function `allocatePrecursor2mz` uses `data.frame`s of the kind of `sd01\_outputXCMS` and `sd02\_deconvoluted` to create a `data.frame` of the kind of `convertExampleDF`. Allocation of precursor ions to candidate m/z values is based on minimal distance of m/z and deviance of retention time based on an objective function. See `?allocatePrecursor2mz` for further information.

### Usage

    convertExampleDF

### Format

`data.frame`

### Value

`data.frame`

### Author(s)

Thomas Naake, thomasnaake@googlemail.com

### Source

internal

[Package MetCirc version 1.18.0 Index]