rc.restore.qc.samples: rc.restore.qc.samples

In cbroeckl/RAMClustR: Mass Spectrometry Metabolomics Feature Clustering and Interpretation

rc.restore.qc.samples

Description

summarize quality control for clustering and for quality control sample variation based on compound ($SpecAbund) and feature ($MSdata and $MSMSdata, if present)

Usage

rc.restore.qc.samples(ramclustObj = NULL)

Arguments

ramclustObj

ramclustR object to analyze

Details

moves all of $phenoData, $MSdata, $MSMSdata, $SpecAbund back to original positions from $qc slot

Value

RC object

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.

cbroeckl/RAMClustR documentation built on Sept. 1, 2024, 1:50 a.m.