R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
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Updated
Jul 3, 2024 - R
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
Binning and visualizing NMR spectra from environmental samples
Strategy for improved characterisation of human metabolic phenotypes using a COmbined Multiblock Principal components Analysis with Statistical Spectroscopy (COMPASS)
An R package containing functions that load, process, normalise and visualise NMR spectra for metabolomic study.
Importing, processing, and plotting Bruker NMR data in R
Tools for extracting structural information from NMR chemical shift data
Web-application for 2D NMR peak picking and result visualisation using a Laplacian of Gaussian (LoG) and deep learning (TF Keras) approach - currently under development
An R package used to calculate the number of scans required for an experiment such that the signal to noise ratio is within a certain range. Used in the dynamically adjusted NMR pipeline.
An R package containing packages able to normalise NMR spectra derived from urine samples of different dilutions to produce more accurate and robust results from multivariate statistical analysis.
NASQQ: end-to-end Nextflow pipeline designed for automated analysis of 1D 1H NMR proton magnetic resonance spectra.
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