Prepare features table

Description

Prepares LC-MS feature tables by standardizing column names, filtering to top-intensity samples per feature, and formatting for downstream analysis. Supports multiple formats (mzmine, SLAW, SIRIUS).

Usage

prepare_features_tables(
  features = get_params(step = "prepare_features_tables")\$files\$features\$raw,
  output = get_params(step = "prepare_features_tables")\$files\$features\$prepared,
  candidates = get_params(step = "prepare_features_tables")\$annotations\$canidates\$samples,
  name_adduct = get_params(step = "prepare_features_tables")\$names\$adduct,
  name_features = get_params(step = "prepare_features_tables")\$names\$features,
  name_rt = get_params(step = "prepare_features_tables")\$names\$rt\$features,
  name_mz = get_params(step = "prepare_features_tables")\$names\$precursor
)

Arguments

features character Path to raw features file (CSV/TSV).
output character Path where prepared features should be saved.
candidates integer Number of top-intensity samples to retain per feature (default: from params; recommended ≤5 to balance data size and coverage).
name_adduct character Name of the adduct column in input.
name_features character Name of the feature ID column in input.
name_rt character Name of the retention time column in input.
name_mz character Name of the m/z column in input.

Value

character(1) Path to the prepared feature table (invisibly).

See Also

Other preparation: prepare_annotations_gnps(), prepare_annotations_mzmine(), prepare_annotations_sirius(), prepare_annotations_spectra(), prepare_features_components(), prepare_features_edges(), prepare_libraries_rt(), prepare_libraries_sop_bigg(), prepare_libraries_sop_closed(), prepare_libraries_sop_ecmdb(), prepare_libraries_sop_hmdb(), prepare_libraries_sop_lotus(), prepare_libraries_sop_merged(), prepare_libraries_spectra(), prepare_params(), prepare_taxa()

Examples

library("tima")

copy_backbone()
go_to_cache()
get_file(
  url = get_default_paths()$urls$examples$features,
  export = get_params(step = "prepare_features_tables")$files$features$raw
)
prepare_features_tables()
unlink("data", recursive = TRUE)