Adding annotation from SIRIUS to the mmo

This function reads SIRIUS structure identification and formula summary files, and adds the annotations to the mmo.

Usage

AddSiriusAnnot(
  mmo,
  canopus_structuredir,
  canopus_formuladir,
  filter_annot = FALSE,
  filter_threshold = 0.5
)

Arguments

mmo

The mmo

canopus_structuredir

Path to the SIRIUS structure_identification.tsv file

canopus_formuladir

Path to the SIRIUS canopus_formula_summary.tsv file

filter_annot

Logical. If TRUE, filter the annotations by probability threshold in CANOPUS.

filter_threshold

Numeric between 0 and 1. The probability threshold for filtering annotations.

Value

The mmo with SIRIUS annotations added

Examples

if (FALSE) {
mmo <- AddSiriusAnnot(mmo,
 canopus_structuredir = "path/to/structure_identification.tsv",
 canopus_formuladir = "path/to/canopus_formula_summary.tsv"
)
}