SEC.Models.LKM

SEC.Models.LKM.py

LKM (Lumped Kinetic Model) column model class.

Copyright (c) 2024, SAXS Team, KEK-PF

class LKM(**kwargs)

Bases: object

Lumped Kinetic Model (LKM) for SEC data analysis.

Parameters are estimated via moment-matching (LkmEstimator) and then each component’s scale is refined by NNLS (LkmOptimizer).

The rigorous optimize_rigorously() step uses the G1400 objective function (molass-legacy) to refine all LKM parameters jointly.

optimize_decomposition(decomposition, **kwargs)

Upgrade an EGH decomposition to use LKM component curves.

Parameters:

• decomposition (Decomposition) – Initial EGH decomposition to upgrade.

• kwargs (dict) – Passed through to estimator and optimizer. debug=True enables verbose output.

Returns:

New decomposition with LkmComponentCurve objects.

Return type:

Decomposition