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interference_database.py

ICP-MS Interference Database for spICP-ToF-MS


Constants

Name Value
PLASMA_SPECIES frozenset({'Ar', 'O', 'N', 'H', 'C'})

Functions

Function Signature Description
get_interferences_for_mass (nominal_mass: int) → list Get all known interferences for a given nominal mass.
get_particle_relevant_interferences (nominal_mass: int, elements_in_particle: Set[str]) → list Get interferences that are plausible for a specific particle based on
get_worst_severity (interferences: list) → str Get the worst (most severe) interference severity from a list.
has_any_interference (nominal_mass: int) → bool Quick check if a nominal mass has any known interferences.
score_isotope (mass: float, abundance: float, interferences: list, abundance_weight: Score an isotope for auto-selection. Higher score = better choice.
get_best_isotope (element_data: dict, available_masses: list=None, abundance_weight: fl Select the best isotope for an element based on abundance and
build_smart_preferred_isotopes (elements_data: list, available_masses: list=None) → dict Build a complete preferred isotopes dictionary using smart scoring.
get_isotope_interference_summary (element_data: dict, available_masses: list=None) → list Get a summary of all isotopes for an element with their interference