Create an MSObject from a data frame.
Usage
create_ms_obj(
df,
name,
id_name = "Compound_ID",
rt_name = "RT",
mz_name = "MZ",
int_name = "Intensity",
metab_name = "Metabolite"
)Arguments
- df
A data frame containing the raw data.
- name
A character indicating the name of the experiment.
- id_name
A character indicating the name of the column containing the compound IDs.
- rt_name
A character indicating the name of the column containing the retention times.
- mz_name
A character indicating the name of the column containing the m/z values.
- int_name
A character indicating the name of the column containing the intensities
- metab_name
An optional character indicating the name of the column containing the metabolite annotations