Description
Quality Control–based Robust LOESS Signal Correction.
Description
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) <doi:10.1038/nprot.2011.335>. 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.
README.md
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.