atomicds.results.xps

Classes

XPSResult(data_id, xps_id, binding_energies, ...)

XPS result

class atomicds.results.xps.XPSResult(data_id: UUID | str, xps_id: UUID | str, binding_energies: list[float], intensities: list[float], predicted_composition: dict[str, float], detected_peaks: dict[str, float | str], elements_manually_set: bool)

Bases: MSONable

XPS result

Parameters:

• data_id (UUID | str) – Data ID for the entry in the data catalogue.

• xps_id (UUID | str) – Unique ID for this specific XPS result.

• binding_energies (list[float]) – List of binding energy values in eV.

• intensities (list[float]) – List of intensity values.

• predicted_composition (dict[str, float]) – Mapping between element symbols and predicted fractional composition values.

• detected_peaks (dict[str, float | str]) – Mapping with peak transition labels.

• elements_manually_set (bool) – Whether the elements represented in the predicted composition were manually specified by the user.

get_plot() → Figure

Get plot of X-ray Photoelectron Spectrum

Returns:

Matplotlib Figure object containing plot data

Return type:

(Figure)