Decompose.Proportional

Decompose.Proportional#

Decompose.Proportional.py

safe_log10(x)#

Compute the base-10 logarithm of x, ensuring numerical stability. :param x: The input value(s) for which to compute the logarithm. :type x: float or array-like

Returns:

The base-10 logarithm of the input value(s), with a lower bound to avoid logarithm of zero or negative values.

Return type:

float or array-like

get_proportional_slices(x, y, proportions, debug_ax=None)#

Get slices of x and y based on the specified proportions. Each slice corresponds to a component whose area is proportional to the given proportions.

Parameters:

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

  • y (array-like) – The y values of the data.

  • proportions (array-like) – The proportions for each component. Should sum to 1.

  • debug_ax (matplotlib.axes.Axes, optional) – An optional axis for debugging plots. If provided, the cumulative curve and slice boundaries will be plotted on this axis.

Returns:

A list of slices corresponding to the proportional areas of each component.

Return type:

list of slice

estimate_initial_params(x, y, moment)#

Estimate initial parameters for the egh function based on the given data and moment.

Parameters:

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

  • y (array-like) – The y values of the data.

  • moment (Moment) – The moment object containing statistical information about the data.

Returns:

params – The estimated parameters for the egh function: (height, mean, std, tau).

Return type:

array-like

debug_plot(ax, x, xslices, plot_params)#

Plot the initial decomposition parameters for debugging.

Parameters:

  • ax (matplotlib.axes.Axes) – The axis on which to plot the debug information.

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

  • xslices (list of slice) – The slices corresponding to each component.

  • plot_params (array-like) – The parameters for each component to be plotted.

Return type:

None

decompose_proportionally(icurve, proportions, debug=False)#

Decompose the given data (x, y) into components based on the specified proportions. Each component is modeled using the egh function from molass.SEC.Models.Simple.

Parameters:

  • icurve (ICurve) – The intensity elution curve to be decomposed.

  • proportions (array-like) – The proportions for each component. Should sum to 1.

  • debug (bool, optional) – If True, enable debug mode to visualize the decomposition process. Default is False.

Returns:

result – The result of the optimization containing the optimized parameters.

Return type:

OptimizeResult

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