pybaselines.Baseline2D.pspline_iarpls

Baseline2D.pspline_iarpls(data, lam=1000.0, num_knots=25, spline_degree=3, diff_order=2, max_iter=50, tol=0.001, weights=None)[source]

A penalized spline version of the IarPLS algorithm.

Parameters:
dataarray_like, shape (M, N)

The y-values of the measured data. Must not contain missing data (NaN) or Inf.

lamfloat or sequence[float, float], optional

The smoothing parameter for the rows and columns, respectively. If a single value is given, both will use the same value. Larger values will create smoother baselines. Default is 1e3.

num_knotsint or sequence[int, int], optional

The number of knots for the splines along the rows and columns, respectively. If a single value is given, both will use the same value. Default is 25.

spline_degreeint or sequence[int, int], optional

The degree of the splines along the rows and columns, respectively. If a single value is given, both will use the same value. Default is 3, which is a cubic spline.

diff_orderint or sequence[int, int], optional

The order of the differential matrix for the rows and columns, respectively. If a single value is given, both will use the same value. Must be greater than 0. Default is 2 (second order differential matrix). Typical values are 1 or 2.

max_iterint, optional

The max number of fit iterations. Default is 50.

tolfloat, optional

The exit criteria. Default is 1e-3.

weightsarray_like, shape (M, N), optional

The weighting array. If None (default), then the initial weights will be an array with size equal to N and all values set to 1.

Returns:
baselinenumpy.ndarray, shape (M, N)

The calculated baseline.

paramsdict

A dictionary with the following items:

  • 'weights': numpy.ndarray, shape (M, N)

    The weight array used for fitting the data.

  • 'tol_history': numpy.ndarray

    An array containing the calculated tolerance values for each iteration. The length of the array is the number of iterations completed. If the last value in the array is greater than the input tol value, then the function did not converge.

References

Ye, J., et al. Baseline correction method based on improved asymmetrically reweighted penalized least squares for Raman spectrum. Applied Optics, 2020, 59, 10933-10943.

Eilers, P., et al. Splines, knots, and penalties. Wiley Interdisciplinary Reviews: Computational Statistics, 2010, 2(6), 637-653.