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 |