matchms.exporting.save_as_json module¶
- matchms.exporting.save_as_json.save_as_json(spectrums: List[Spectrum], filename: str, export_style: str = 'matchms')[source]¶
Save spectrum(s) as json file.
losses
of spectrum will not be saved.Example:
import numpy as np from matchms import Spectrum from matchms.exporting import save_as_json # Create dummy spectrum spectrum = Spectrum(mz=np.array([100, 200, 300], dtype="float"), intensities=np.array([10, 10, 500], dtype="float"), metadata={"charge": -1, "inchi": '"InChI=1S/C6H12"', "precursor_mz": 222.2}) # Write spectrum to test file save_as_json(spectrum, "test.json")
- Parameters:
spectrums – Expected input is a list of
Spectrum
objects.filename – Provide filename to save spectrum(s).
export_style – Converts the keys to the required export style. One of [“matchms”, “massbank”, “nist”, “riken”, “gnps”]. Default is “matchms”