nmr_batman {AlpsNMR} | R Documentation |
Batman helpers
nmr_batman_write_options( bopts, batman_dir = "BatmanInput", filename = "batmanOptions.txt" ) nmr_batman_export_dataset( nmr_dataset, batman_dir = "BatmanInput", filename = "NMRdata.txt" ) nmr_batman_multi_data_user_hmdb( batman_dir = "BatmanInput", filename = "multi_data_user.csv" ) nmr_batman_multi_data_user( multiplet_table, batman_dir = "BatmanInput", filename = "multi_data_user.csv" ) nmr_batman_metabolites_list( metabolite_names, batman_dir = "BatmanInput", filename = "metabolitesList.csv" )
bopts |
Batman options |
batman_dir |
Batman input directorye |
filename |
Filename to use, inside |
nmr_dataset |
An nmr_dataset_1D object |
multiplet_table |
A data frame, like the hmdb dataset |
metabolite_names |
A character vector of the metabolite names to consider |
These are helper functions to make Batman tests easier
Other batman functions:
nmr_batman_options()
bopts <- nmr_batman_options() # nmr_batman_write_options(bopts) 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)) #nmr_batman_export_dataset(dataset_1D) message("Use of multi_data_user_hmdb") #multi_data_user_hmdb <- nmr_batman_multi_data_user_hmdb() hmdb <- NULL #utils::data("hmdb", package = "AlpsNMR", envir = environment()) #hmdb <- nmr_batman_multi_data_user(hmbd) metabolite_names <- c("alanine", "glucose") #metabolite_names <- nmr_batman_metabolites_list(metabolite_names)