SavitzkyGolay

class chemotools.derivative.SavitzkyGolay(window_length: int = 3, polyorder: int = 1, deriv: int = 1, mode: Literal['mirror', 'constant', 'nearest', 'wrap', 'interp'] = 'nearest', window_size='deprecated', polynomial_order='deprecated', derivate_order='deprecated')

基类：TransformerMixin, OneToOneFeatureMixin, BaseEstimator

A transformer that calculates the Savitzky-Golay derivative of the input data.

参数:

• window_length (int, optional, default=3) -- The size of the window to use for the derivative calculation. Must be odd. Default is 3.

• polyorder (int, optional, default=1) -- The order of the polynomial to use for the derivative calculation. Must be less than window_length. Default is 1.

• deriv (int, optional, default=1) -- The order of the derivative to calculate. Default is 1.

• window_size (int, optional) -- Deprecated alias for window_length.

• polynomial_order (int, optional) -- Deprecated alias for polyorder.

• derivate_order (int, optional) -- Deprecated alias for deriv.

• mode (str, optional, default="nearest") -- The mode to use for the derivative calculation. Can be "nearest", "constant", "reflect", "wrap", "mirror" or "interp". Default is "nearest".

变量:

n_features_in (int) -- The number of features in the input data.

引用

[1] Åsmund Rinnan, Frans van den Berg, Søren Balling Engelsen,

"Review of the most common pre-processing techniques for near-infrared spectra," TrAC Trends in Analytical Chemistry 28 (10) 1201-1222 (2009).

示例

>>> from chemotools.derivative import SavitzkyGolay
>>> from chemotools.datasets import load_fermentation_train
>>> # Load sample data
>>> X, _ = load_fermentation_train()
>>> # Instantiate the transformer
>>> transformer = SavitzkyGolay(window_length=3, polyorder=1)
SavitzkyGolay()
>>> transformer.fit(X)
>>> # Calculate Savitzky-Golay derivative
>>> X_corrected = transformer.transform(X)

fit(X: ndarray, y=None) → SavitzkyGolay

Fit the transformer to the input data.

参数:

• X (np.ndarray of shape (n_samples, n_features)) -- The input data to fit the transformer to.

• y (None) -- Ignored to align with API.

返回:

self -- The fitted transformer.

返回类型:

SavitzkyGolay

transform(X: ndarray, y=None) → ndarray

Transform the input data by calculating the Savitzky-Golay derivative.

参数:

• X (np.ndarray of shape (n_samples, n_features)) -- The input data to transform.

• y (None) -- Ignored to align with API.

返回:

X_transformed -- The transformed data.

返回类型:

np.ndarray of shape (n_samples, n_features)