emzed¶

import emzed

peak_map = emzed.PeakMap.load("test.mzML")

print(f"loaded mzML file with {len(peak_map)} spectra")

peaks = emzed.run_feature_finder_metabo(
    peak_map,
    verbose=False,
    mtd_noise_threshold_int=10000,
)

print(f"detected {len(peaks)} peaks")

integrated_peaks = emzed.quantification.integrate(
    peaks,
    "emg",
    show_progress=False,
)

successfully_integrated = integrated_peaks.filter(
    integrated_peaks.area.is_not_none()
)

print(f"integrated {len(successfully_integrated)} peaks")