find_structure: Find the most probable structure by iterating over all...

In eMetaboHUB/MS-CleanR: Cleans MS Data for Easier Analyses

Find the most probable structure by iterating over all possible levels of annotations.

Description

Find the most probable structure by iterating over all possible levels of annotations.

Usage

find_structure(
  possibilities,
  score_only = FALSE,
  compound_levels = NULL,
  biosoc_levels = NULL
)

Arguments

possibilities	A data.frame of possible structures.
score_only	Whether to find the most probable annotation on scores only (without using the biosoc_levels and compound_levels)
compound_levels	A vector containing the compound levels to consider, in the given order.
biosoc_levels	A vector containing the biosource levels to consider, in the given order.

Value

A vector containing the row id(s) of the most probable structure(s).

eMetaboHUB/MS-CleanR documentation built on Jan. 3, 2024, 8:55 p.m.