import.msfinder.structures: write.methods

import.msfinder.structuresR Documentation

write.methods

Description

write RAMClustR processing methods and citations to text file

Usage

import.msfinder.structures(ramclustObj = NULL, mat.dir = NULL, msp.dir = NULL)

Arguments

ramclustObj

R object - the ramclustR object which was used to write the .mat or .msp files

mat.dir

directory in which to look for mat file MSFinder output - by default the /spectra/mat in the working directory

msp.dir

directory in which to look for msp file MSFinder output - by default the /spectra/msp in the working directory

Details

this function exports a file called ramclustr_methods.txt which contains the processing history, parameters used, and relevant citations.

Value

an annotated ramclustR object

nothing - new file written to working director

Author(s)

Corey Broeckling

References

Broeckling CD, Afsar FA, Neumann S, Ben-Hur A, Prenni JE. RAMClust: a novel feature clustering method enables spectral-matching-based annotation for metabolomics data. Anal Chem. 2014 Jul 15;86(14):6812-7. doi: 10.1021/ac501530d. Epub 2014 Jun 26. PubMed PMID: 24927477.


cbroeckl/csu.pmf.tools documentation built on May 21, 2024, 1:26 a.m.