Changes by create-pull-request action

docs/ExtendedKalmanFilter.md

@@ -0,0 +1,37 @@
+# ExtendedKalmanFilter
+
+
+
+
+## Methods
+
+
+### __init__
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+measurement_covariance |  | 
+model_covariance |  | 
+
+
+
+
+
+### calculate
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+measurements |  | 
+
+
+
+

docs/MassBalance.md

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+# MassBalance
+
+
+
+
+## Methods
+
+
+### __init__
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+microbial_kinetics |  | 
+inlet |  | 
+outlet |  | 
+
+
+
+
+
+### calculate
+
+
+Calculates the mass balance for a given kinetic rate list. 
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+concentrations |  | 
+time |  | 
+
+
+
+

docs/PCAReport.md

@@ -0,0 +1,150 @@
+# PCAReport
+
+
+
+
+## Methods
+
+
+### __init__
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+model |  | 
+X_train |  | 
+y_train |  | 
+X_test |  | None
+y_test |  | None
+wavenumbers |  | None
+
+
+
+
+
+### plot_data
+
+
+Plot spectra with optional color coding.   
+Parameters ---------- color_by : Optional[ArrayLike] Optional array for color coding the points. 
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+title |  | "Spectra"
+x_label |  | "Wavenumber"
+y_label |  | "Intensity"
+
+
+
+
+
+### plot_preprocessed_data
+
+
+Plot preprocessed spectra with optional color coding.   
+Parameters ---------- color_by : Optional[ArrayLike] Optional array for color coding the points. 
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+title |  | "Spectra"
+x_label |  | "Wavenumber"
+y_label |  | "Intensity"
+
+
+
+
+
+### _get_ellipse
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+x |  | 
+y |  | 
+ax |  | 
+n_std |  | 3
+edgecolor |  | "red"
+
+
+
+
+
+### plot_scores
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+title |  | "PCA Scores"
+x_axis |  | 1
+y_axis |  | 2
+n_std |  | 3
+
+
+
+
+
+### plot_loadings
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+title |  | "PCA Loadings"
+
+
+
+
+
+### plot_scree
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+title |  | "Cumulative Explained Variance"
+
+
+
+
+
+### plot_residuals
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+label_by |  | None
+title |  | "Residuals"
+
+
+
+

docs/PLSRegressionReport.md

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+# PLSRegressionReport
+
+
+
+
+## Methods
+
+
+### __init__
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+model |  | 
+X_train |  | 
+y_train |  | 
+X_test |  | None
+y_test |  | None
+wavenumbers |  | None
+
+
+
+
+
+### plot_data
+
+
+Plot spectra with optional color coding.   
+Parameters ---------- color_by : Optional[ArrayLike] Optional array for color coding the points. 
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+title |  | "Spectra"
+x_label |  | "Wavenumber"
+y_label |  | "Intensity"
+
+
+
+
+
+### plot_preprocessed_data
+
+
+Plot preprocessed spectra with optional color coding.   
+Parameters ---------- color_by : Optional[ArrayLike] Optional array for color coding the points. 
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+title |  | "Spectra"
+x_label |  | "Wavenumber"
+y_label |  | "Intensity"
+
+
+
+
+
+### _get_ellipse
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+x |  | 
+y |  | 
+ax |  | 
+n_std |  | 3
+edgecolor |  | "red"
+
+
+
+
+
+### plot_residuals
+
+
+
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+label_by |  | None
+title |  | "Residuals"
+
+
+
+
+
+### plot_prediction_results
+
+
+Plot prediction results for the PLS regression model.   
+Parameters ---------- None   
+Returns ------- None 
+
+#### Parameters
+name | description | default
+--- | --- | ---
+self |  | 
+color_by |  | None
+
+
+
+