R package for importing, pre-processing and visualising J-resolved (jres) Magnetic Resonance Spectroscopy (MRS) experiments.
In the field of small molecule research (metabolomics/metabonomics) the interpretation of 1D MRS features can be tricky when there is a high degree of peak overlap/convolution. The visualiser is designed to address this issue by combining the standard 1D spectrum with a J-resolved spectrum (a fast 2D experiment that is standardly applied in high-throughput settings) acquired from the same sample. The 2D experiment is naturally less convoluted and the joint visualisation with the 1D experiment improves spectral interpretation and metabolite annotation.
Functions also work for 2D MRS experiments other than jres.
#install.packages('devtools')
devtools::install_github('tkimhofer/jres')