API Reference: Utils

read_msp

Reads an MSP file and returns metadata and retention time data.

Parameters

• msp_file_path (str): Path to the MSP file.

Returns

• Tuple[Dict[str, Dict[int, int]], pd.DataFrame]: Metadata and retention time data.

Example

from wtv.utils import read_msp

meta, rt_data = read_msp("input.msp")

write_msp

Writes filtered ions to an MSP file.

Parameters

• ion_df (pd.DataFrame): DataFrame containing ion data.
• output_directory (Path): Directory to save the output MSP file.
• source_msp_file (Path): Path to the source MSP file.

Example

from wtv.utils import write_msp

write_msp(ion_df, "output", "input.msp")