nmr_dataset_peak_table_to_SummarizedExperiment {AlpsNMR} | R Documentation |
Export nmr_dataset_peak_table to SummarizedExperiment
nmr_dataset_peak_table_to_SummarizedExperiment(nmr_peak_table)
nmr_peak_table |
An nmr_dataset_peak_table object |
SummarizedExperiment object (unmodified)
dir_to_demo_dataset <- system.file("dataset-demo", package = "AlpsNMR") dataset <- nmr_read_samples_dir(dir_to_demo_dataset) dataset_1D <- nmr_interpolate_1D(dataset, axis = c(min = -0.5, max = 10, by = 2.3E-4)) meta <- file.path(dir_to_demo_dataset, "dummy_metadata.xlsx") metadata <- readxl::read_excel(meta, sheet = 1) dataset_1D <- nmr_meta_add(dataset_1D, metadata = metadata, by = "NMRExperiment") metadata <- list(external = dataset_1D[["metadata"]][["external"]]) peak_table <- nmr_data(dataset_1D) nmr_peak_table <- new_nmr_dataset_peak_table(peak_table, metadata) se <- nmr_dataset_peak_table_to_SummarizedExperiment(nmr_peak_table)