agilent-decode

Python package for extracting Agilent CDS DAD data from .dx archives.

Installation

From repository root:

pip install .

For editable install during development:

pip install -e .

Package usage

from pathlib import Path
from agilent_decode import CDSExtractor

reader = CDSExtractor()
intensities, time_slices, wavelengths = reader.extract_dad(Path("sample_data.dx"))

• intensities: 2D numpy array shaped (n_scans, n_wavelengths)
• time_slices: 1D numpy array of scan times in minutes
• wavelengths: 1D numpy array of wavelengths in nm

Demo script

demo/demo.py reproduces the old if __name__ == "__main__" workflow but writes decoded data to .npz instead of printing values.

Run:

python demo/demo.py sample_data.dx -o decoded_output.npz

Saved fields in the .npz:

• intensities
• time_slices
• wavelengths

Project layout

• src/agilent_decode/: installable package source
• demo/demo.py: command-line demo script
• data/: sample assets