This function prepares adducts for further use
Usage
prepare_libraries_adducts(
str_met = get_params(step =
"prepare_libraries_adducts")$files$libraries$sop$merged$structures$metadata,
adducts_masses_list = system.file("extdata", "adducts.tsv", package = "timaR"),
adducts_output_path = parse_yaml_paths()$data$interim$libraries$adducts$path,
clusters_list = system.file("extdata", "clusters.tsv", package = "timaR"),
output_name = get_params(step =
"prepare_libraries_adducts")$files$libraries$adducts$prepared,
masses_pos_output_path = get_params(step =
"prepare_libraries_adducts")$files$libraries$adducts$pos,
masses_neg_output_path = get_params(step =
"prepare_libraries_adducts")$files$libraries$adducts$neg
)Arguments
- str_met
File containing structures metadata
- adducts_masses_list
Table of adducts taken as input
- adducts_output_path
Path where the adducts will be saved
- clusters_list
Table of clusters taken as input
- output_name
Name of the file where adducts will be saved
- masses_pos_output_path
Path where pos adducts masses will be saved
- masses_neg_output_path
Path where neg adducts masses will be saved