prepare_libraries_sop_lotus

Prepare libraries of structure organism pairs LOTUS

Description

This function prepares the LOTUS. 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

Other preparation: prepare_annotations_gnps(), prepare_annotations_mzmine(), prepare_annotations_mztab(), 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_sop_pubchemlite(), prepare_libraries_spectra(), prepare_params(), prepare_taxa(), read_mztab()

Examples

library("tima")

copy_backbone()
go_to_cache()
prepare_libraries_sop_lotus()
unlink("data", recursive = TRUE)