convertMSP2MSP {MetCirc} | R Documentation

## Convert MSP data frame into object of `MSP`-class

### Description

Convert msp data frame into object of `MSP`-class

### Usage

    convertMSP2MSP(msp)

### Arguments

`msp` | `data.frame`, see `Details` for further information.

### Details

msp is a data frame of a .MSP file, a typical data file for MS/MS libraries. The data frame has two columns and contains in the first column the entries "NAME:", "PRECURSORMZ:" (or "EXACTMASS:"), "Num Peaks:" and information on fragments and peak areas/intensities. It may additionally contain row entries: `convertMSP2MSP` will try to find the row entries "RETENTIONTIME:", "ADDUCTIONNAME:" (or "PRECURSORTYPE:"), "CLASS:" and "INFORMATION:" and extract the respective information in the second column.

### Value

`convertMSP2MSP` returns an object of class `MSP`.

### Author(s)

Thomas Naake, thomasnaake@googlemail.com

### Examples

    data("convertMSP2MSP", package = "MetCirc")
    convertMSP2MSP(msp = msp2msp)

[Package MetCirc version 1.14.0 Index]