autoemxsp.data.Xray_lines package

X-ray Line Data Utilities

This module provides functionality to retrieve X-ray emission line energies and relative weights for chemical elements, with optional conversion to Siegbahn notation.

Data Sources:

  • Line energies: LineEnergies.csv

  • Line weights: LineWeights.csv

  • Line nomenclature conversion: lines_nomenclature_conversion.json

Dependencies:

  • pandas

  • pyatomgen

  • json

  • os

Author:

Andrea Giunto

Date:

2024-09-18

autoemxsp.data.Xray_lines.get_el_xray_lines(el: str | int) → Dict[str, Dict[str, float]][source]

Retrieve X-ray emission lines for a given element.

Parameters:

el (str | int) – The element symbol (e.g., “Fe”) or its atomic number (e.g., 26).

Returns:

Dictionary mapping line names to sub-dictionaries containing:
  • ”energy (keV)”: float

    Line energy in keV.

  • ”weight”: float

    Relative intensity weight.

Return type:

Dict[str, Dict[str, float]]

Raises:

  • ValueError – If el is neither a valid element symbol nor an integer atomic number.

  • KeyError – If the element is not found in the datasets.

Submodules