Quality Control–based Robust LOESS Signal Correction

An R implementation of quality control–based robust LOESS(local polynomial regression fitting) signal correction for metabolomics data analysis, described in Dunn, W., Broadhurst, D., Begley, P. et al. (2011) . The optimisation of LOESS's span parameter using generalized cross-validation (GCV) is provided as an option. In addition to signal correction, 'qcrlscR' includes some utility functions like batch shifting and data filtering.

qcrlscR: Quality Control–based Robust LOESS Signal Correction in R

Overview

This package implements quality control–based robust LOESS signal correction (QC-RLSC) for metabolomics data analysis.

Installation from github

devtools::install_github("wanchanglin/qcrlscR")

Installation from CRAN

(Coming soon)

install.packages("qcrlscR")

Authors

• Wanchang Lin ([email protected]), The University of Liverpool
• Warwick Dunn ([email protected]), The University of Liverpool

References

• Dunn,W.B., Broadhurst,D., et al. (2011) Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nat. Protoc., 6, 1060-1083, 2011.
• Broadhurst, D.I. (2024). QC:MXP Repeat Injection based Quality Control, Batch Correction, Exploration & Data Cleaning (version 1) Zendono. https://zenodo.org/doi/10.5281/zenodo.11101541. Retrieved from https://github.com/broadhurstdavid/QC-MXP.