calculate_entropy: Calculate entropy

In taxonomicallyinformedannotation/tima-r: Taxonomically Informed Metabolite Annotation

Calculate entropy

Description

This function calculates entropy similarity between two spectra

Usage

calculate_entropy(
  index,
  target,
  frags,
  ms2_tolerance,
  ppm_tolerance,
  threshold = 0.1
)

Arguments

index	Index of the first spectrum
target	Index of the second spectrum
frags	List of fragments
ms2_tolerance	MS2 tolerance
ppm_tolerance	ppm tolerance
threshold	Threshold value for the score

Value

A list containing the calculated entropy similarity values or NULL if the score is below the threshold

Examples

NULL

taxonomicallyinformedannotation/tima-r documentation built on Nov. 20, 2024, 4:34 a.m.