impRamSearch: impRamSearch

In sneumann/RAMClustR: RAMClust: a novel feature clustering method enables spectral-matching based annotation for metabolomics data

Description

import ramsearch output for annotating an RC object

Usage

impRamSearch(ramclustObj = RC, ramsearchout = "spectra/results.rse")

Arguments

ramclustObj	ramclustR object to annotate
ramsearchout	path to .rse file to import

Details

Annotation of ramclustR exported .msp spectra is accomplished using RAMSearch. Exported ramsearch annotations (.rse) can be imported with this function

Value

returns a ramclustR object. new slots holding .rse data

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.

Broeckling CD, Ganna A, Layer M, Brown K, Sutton B, Ingelsson E, Peers G, Prenni JE. Enabling Efficient and Confident Annotation of LC-MS Metabolomics Data through MS1 Spectrum and Time Prediction. Anal Chem. 2016 Sep 20;88(18):9226-34. doi: 10.1021/acs.analchem.6b02479. Epub 2016 Sep 8. PubMed PMID: 7560453.

sneumann/RAMClustR documentation built on May 30, 2019, 5:05 a.m.