MobilityTransformR: Mobility Transformation of CE-MS Data

In LiesaSalzer/MobilityTransformationR: Effective mobility scale transformation of CE-MS(/MS) data

Mobility Transformation of CE-MS Data

Description

MobilityTransformR collects a tool set for effective mobility scale transformation of CE-MS data.

Details

MobilityTransformR collects a tool set for effective mobility scale transformation of CE-MS/MS data in order to increase reproducibility. It provides functionality to determine the migration times from mobility markers that have been added to the analysis and performs the transformation based on these markers. MobilityTransformR supports the conversion of numeric vectors, Spectra-objects, and MSnOnDiskExp.

Author(s)

Author: NA Maintainer: NA

References

Breitling, R. et al. Ab initio prediction of metabolic networks using Fourier transform mass spectrometry data. 2006. Metabolomics 2: 155–164. 10.1007/s11306-006-0029-z

Examples

marker <- data.frame(markerID = c("marker1", "marker2"),
                      rtime = c(20,80),
                      mobility = c(0, 2000))
                      
## transform vector of migration times                       
rtime <- c(10,20,30,40,50,60,70,80,90,100)
mobilityTransform(x = rtime, marker = marker)
                       

LiesaSalzer/MobilityTransformationR documentation built on April 5, 2022, 5:29 a.m.