Centroiding mzML Files

This project provides a Python script for centroiding mass spectrometry .mzML files using pyOpenMS.

Function

• Automatically finds all .mzML files in the ./Original directory.
• Centroids each file and saves the result in the ./Centroided directory.

Requirements

• Python 3.8+
• pyOpenMS
• tqdm

Install dependencies with:

pip install pyopenms tqdm

Usage

1. Place your .mzML files in the Original folder.
2. Run the script:

python Centroiding.py

3. Centroided files will be saved in the Centroided folder.

License

MIT