This repo contains functions to analyze 1H NMR data from the MTBLS326 study on MetaboLights EMBL-EBI database.
🗄️ MTBLS326
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### get_subset_NMRExps ###
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### DESCRIPTION:
### function for obtaining list of the NMRExperiments corresponding to a
### specified subset of samples in the study (e.g. "breast cancer"/"control")
###
### @param subset_name := string with sample status label (e.g. "control")
### @param metadata := metadata for study cohort that meets requirements
### @return experiment numbers corresponding to specified subset, if none,
### return all experiment names
###
### REQUIREMENTS:
### column labeled "Source_Name" with case vs. control status specified
### column labeled "NMRExperiment" with experiment number of sample specified
### currently only support subsets "breast cancer" and "control "
###
### NOTE:
### currently only supports data and data from MTBLS326 dataset
get_subset_NMRExps <- function (metadata, subset_name = "all")
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### playful_ppm_plot ###
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### DESCRIPTION:
### function for obtaining list of the NMRExperiments corresponding to a
### specified subset of samples in the study (e.g. "breast cancer"/"control")
###
### @param data := an AlpsNMR dataset of type [nmr_dataset_1D]
### @param metabolite := a metabolite of interest (e.g. "lactate)
### @param subset := subset to plot currently only support subsets
### "breast cancer" and "control ", if none, plot all
### @return plot of NMR spectra for region of spectrum corresponding to a
### metabolite of interest (e.g. "lactate"/"glucose"), if none, full spectrum
###
### REQUIREMENTS:
### input dataset must be an AlpsNMR dataset of type [nmr_dataset_1D]
###
### NOTE:
### currently only supports data and data from MTBLS326 dataset
playful_ppm_plot <- function(data, metabolite = NULL, subset = "all")