Getting started

Install the wheel and load a two-column spectrum:

python -m pip install isodec

from isodec import IsoDecRuntime

engine = IsoDecRuntime()
engine.process_file("spectrum.txt", assume_centroided=True)
print(len(engine.pks))

Built-in readers cover TXT, DAT, CSV, and NPZ files. Install isodec[unidec] for raw vendor, mzML/mzXML, and I2MS formats. This optional dependency is also required for workflows that consume UniDec reader objects.

IsoDecRuntime.batch_process_spectrum accepts an N x 2 NumPy array directly and is the preferred integration point for applications that already read their own data.