bioniumx.molecules.compute_disequilibrium

bioniumx.molecules.compute_disequilibrium(molecule_detections: Dict[str, float], detection_threshold: float = 2.0) → DisequilibriumResult[source]

Evaluate chemical disequilibrium from per-molecule significance values.

Parameters:

molecule_detections (dict) – Mapping of molecule name → detection significance in σ. Example: {“O2”: 3.2, “CH4”: 2.8, “H2O”: 5.1}
detection_threshold (float, optional) – Minimum σ to consider a molecule “detected”. Default 2.0.

Returns:

result

Return type:

DisequilibriumResult

Examples

>>> sigs = {"O2": 3.5, "CH4": 2.9, "H2O": 6.0, "CO2": 4.1}
>>> result = compute_disequilibrium(sigs)
>>> print(result.disequilibrium_score)  # e.g. 0.78
>>> result.is_significant()             # True