MobilityTransformR

MobilityTransformR performs mobility scaling of capillary zone electrophoresis-mass spectrometry (CE-MS) data to standardize migration times across runs and instruments for comparative metabolomics analyses.


Key Features:

  • Effective Mobility Scaling: Performs mobility scaling on CE-MS datasets to adjust migration time variations across runs or instruments.
  • Integration with R/Bioconductor Ecosystem: Leverages R and Bioconductor functionalities to integrate with MS-based metabolomics workflows.
  • Reproducibility: Transforms CE-MS data to support consistent results across studies by standardizing mobility measurements.

Scientific Applications:

  • Comparative metabolomics: Standardizes migration times to enable direct comparison of CE-MS datasets across experimental conditions or laboratories.
  • Biomarker discovery: Improves reliability of detecting and comparing metabolite signals for biomarker identification in CE-MS studies.
  • Metabolic pathway and large-scale omics studies: Reduces mobility-induced variability to support metabolic pathway analysis and large-scale omics investigations.

Methodology:

Adjusts migration times in CE-MS data using mobility-scaling algorithms to account for variability introduced by instrumental or procedural differences.

Topics

Details

License:
Artistic-2.0
Cost:
Free of charge
Tool Type:
library
Operating Systems:
Mac, Linux, Windows
Programming Languages:
R
Added:
10/1/2022
Last Updated:
11/24/2024

Operations

Publications

Salzer L, Witting M, Schmitt-Kopplin P. MobilityTransformR: an R package for effective mobility transformation of CE-MS data. Bioinformatics. 2022;38(16):4044-4045. doi:10.1093/bioinformatics/btac441. PMID:35781328.

PMID: 35781328
Funding: - Deutsche Forschungsgemeinschaft: 431572533

Documentation

Links