library("tima")
copy_backbone()
go_to_cache()
prepare_libraries_sop_lotus()
unlink("data", recursive = TRUE)Prepare libraries of structure organism pairs LOTUS
Description
This function prepares the LOTUS (LOng-lasting, cUraTed collection of cOnnectivity daTa for natural products) structure-organism pairs database. It standardizes columns, extracts 2D InChIKeys, rounds numeric values, and removes duplicates.
Usage
prepare_libraries_sop_lotus(
input = get_params(step = "prepare_libraries_sop_lotus")\$files\$libraries\$sop\$raw\$lotus,
output = get_params(step =
"prepare_libraries_sop_lotus")\$files\$libraries\$sop\$prepared\$lotus
)
Arguments
input
|
character Character string path to the raw LOTUS data file |
output
|
character Character string path for the prepared output file |
Value
Character string path to the prepared structure-organism pairs library file
See Also
Other preparation: prepare_annotations_gnps(), prepare_annotations_mzmine(), prepare_annotations_sirius(), prepare_annotations_spectra(), prepare_features_components(), prepare_features_edges(), prepare_features_tables(), prepare_libraries_rt(), prepare_libraries_sop_bigg(), prepare_libraries_sop_closed(), prepare_libraries_sop_ecmdb(), prepare_libraries_sop_hmdb(), prepare_libraries_sop_merged(), prepare_libraries_spectra(), prepare_params(), prepare_taxa()