SubtractReference

class chemotools.baseline.SubtractReference(reference: ndarray | None = None)

基类：TransformerMixin, OneToOneFeatureMixin, BaseEstimator

A transformer that subtracts a reference spectrum from the input data.

参数:

reference (np.ndarray, optional, default=None) -- The reference spectrum to subtract from the input data. If None, the original spectrum is returned.

变量:

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

• reference (np.ndarray) -- The reference spectrum to subtract from the input data if the reference parameter is not None.

示例

>>> from chemotools.baseline import SubtractReference
>>> from chemotools.datasets import load_fermentation_train
>>> # Load sample data
>>> X, _ = load_fermentation_train()
>>> # Convert X to a numpy array
>>> X = np.array(X)
>>> # Instantiate the transformer with a reference spectrum
>>> reference = X[0]
>>> transformer = SubtractReference(reference=reference)
SubtractReference()
>>> transformer.fit(X)
>>> # Generate baseline-corrected data
>>> X_corrected = transformer.transform(X)

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

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:

SubtractReference

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

Transform the input data by subtracting the reference spectrum.

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)