qcrlscR

MaRDI QIDQ7385043CRANFDO

Authors Wanchang Lin, Warwick Dunn

Last update 22 April 2025

Copyright license GNU General Public License, version 2.0, GNU General Public License, version 3.0

Software version identifier 0.1.3

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.

Cites work

• Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

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