SEC.Models.GrmComponentCurve

SEC.Models.GrmComponentCurve#

SEC.Models.GrmComponentCurve.py

GRM (General Rate Model) component curve.

Each component stores its own (R, k_ext) while sharing (Pe, t0, R_p, D_eff) across all components in the same decomposition.

Copyright (c) 2026, SAXS Team, KEK-PF

class GrmComponentCurve(x, Pe, t0, R_p, D_eff, a_star, F_ratio, k_ext, R, scale, rg=None)#

Bases: ComponentCurve

A component curve computed from the General Rate Model (GRM).

x#

Frame-number axis.

Type:

array-like

Pe#

Péclet number (shared column parameter).

Type:

float

t0#

Dead time in frame units (shared column parameter).

Type:

float

R_p#

Particle radius (shared column parameter, same units as k_ext).

Type:

float

D_eff#

Effective intraparticle pore diffusivity (shared, [length²/time]).

Type:

float

a_star#

Effective intraparticle retention parameter (shared): a_star = eps_p + (1 - eps_p) * a_henry

Type:

float

F_ratio#

Phase ratio F = (1-ε)/ε (shared column parameter).

Type:

float

k_ext#

External film mass-transfer coefficient for this component [length/time].

Type:

float

R#

Retention factor for this component (R = tR/t0 = 1 + F*a_star).

Type:

float

scale#

Area scaling factor.

Type:

float

rg#

Radius of gyration for this component.

Type:

float, optional

Initializes the ComponentCurve object with the given x-values and parameters.

Parameters:

  • x (array-like) – The x-values of the component curve.

  • params (array-like) – The parameters of the component curve.

model = 'grm'#
property y#

The y-values of the component curve evaluated at self.x.

get_y(x=None)#

Returns the y-values of the component curve.

Parameters:

x (array-like or None, optional) – The x-values to compute the y-values for. If None, uses the object’s x-values.

Returns:

The y-values of the component curve.

Return type:

array-like

get_xy()#

Returns the x and y values of the component curve.

Returns:

The x and y values of the component curve.

Return type:

tuple of array-like

get_peak_position()#

Return the x-position of the PDF maximum (mode).

get_scale_param()#

Return the area scaling factor (overrides base-class params[0] which is Pe).