Check compound metadata

Internal function

Usage

check_metadata(met_metadata)

Arguments

met_metadata

a data frame with at least the Formula and the Ionization_mode

Value

a double with the ionized mass of the compound.

Details

This function evaluates if the metadata has the expected column names. Then, it calculates the theoretical exact mass of the compound using the given formula and ionization mode to obtain a charged mass.

Required values

Formula

character, compound chemical formula

Ionization_mode

character, only Positive and Negative values are accepted