get_formula: get_formula

In chi-med-pro/MCnebula: MCnebula algorithm integration in R

get_formula

Description

A function to read table of formula data of feature in SIRIUS project.

Usage

get_formula(
  key_id,
  exclude_element = NULL,
  formula_method = "top_zodiac",
  rank = 1:5,
  ppm_error = 20,
  return_col = c("rank", "precursorFormula", "molecularFormula", "adduct",
    "ZodiacScore", "massErrorPrecursor(ppm)"),
  ...
)

Arguments

key_id	Character.
exclude_element	Vector, Default: NULL
formula_method	Character, Default: 'top_zodiac'
rank	Vector of number, Default: 1:5
ppm_error	A bumber, Default: 20
return_col	Vector of character, Default: c("rank", "precursorFormula", "massErrorPrecursor(ppm)")
...	...

Details

DETAILS

Value

A data.frame

Examples

## Not run: 
if(interactive()){
 #EXAMPLE1
 }

## End(Not run)

chi-med-pro/MCnebula documentation built on March 28, 2023, 5:55 a.m.