NASQQ: end-to-end Nextflow pipeline designed for automated analysis of 1D 1H NMR proton magnetic resonance spectra.
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Updated
Aug 2, 2024 - R
NASQQ: end-to-end Nextflow pipeline designed for automated analysis of 1D 1H NMR proton magnetic resonance spectra.
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.
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 functions that load, process, normalise and visualise NMR spectra for metabolomic study.
Tools for extracting structural information from NMR chemical shift data
Importing, processing, and plotting Bruker NMR data in R
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)
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
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