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Section Navigation

  • Methods overview
    • Augmentation
      • Augmentation Methods
        • AddNoise
        • BaselineShift
        • FractionalShift
        • GaussianBroadening
        • IndexShift
        • SpectrumScale
    • Preprocessing
      • Baseline Methods
        • AirPls
        • ArPls
        • AsLs
        • ConstantBaselineCorrection
        • CubicSplineCorrection
        • LinearCorrection
        • NonNegative
        • PolynomialCorrection
        • RubberbandCorrection
        • SubtractReference
      • Projection Methods
        • DirectOrthogonalization
        • ExternalParameterOrthogonalization
        • OrthogonalPLS
        • OrthogonalSignalCorrection
        • Direct Orthogonalization
        • ExternalParameterOrthogonalization
        • ExternalParameterOrthogonalization
        • OrthogonalSignalCorrection
      • Derivative Methods
        • NorrisWilliams
        • SavitzkyGolay
      • Scale Methods
        • BandScaler
        • MinMaxScaler
        • NormScaler
        • ParetoScaler
        • PointScaler
      • Scatter Methods
        • ExtendedMultiplicativeScatterCorrection
        • MultiplicativeScatterCorrection
        • RobustNormalVariate
        • StandardNormalVariate
      • Smooth Methods
        • MeanFilter
        • MedianFilter
        • ModifiedSincFilter
        • SavitzkyGolayFilter
        • WhittakerSmooth
    • Feature Selection
      • Feature Selection Methods
        • IndexSelector
        • RangeCut
        • SRSelector
        • VIPSelector
    • Regression
      • Regression Methods
        • PLSRegression
    • Classification
      • Classification Methods
        • PLSDA
    • Outliers
      • Outliers Methods
        • DModX
        • HotellingT2
        • QResiduals
        • Leverage
        • StudentizedResiduals
    • Plotting
      • Plotting Methods
        • SpectraPlot
        • ScoresPlot
        • LoadingsPlot
        • DistancesPlot
        • ExplainedVariancePlot
        • FeatureSelectionPlot
        • PredictedVsActualPlot
        • YResidualsPlot
        • QQPlot
        • ResidualDistributionPlot
    • Inspector
      • Inspector Methods
        • PCAInspector
        • PLSRegressionInspector
        • PreprocessingInspector
    • Physics
      • Physics Methods
        • IntensityConversion
    • Adaptation
      • Adaptation Methods
        • DirectStandardization
        • PiecewiseDirectStandardization
        • SpectralSpaceTransform
        • XAxisInterpolator
        • MetadataFunctionTransformer
        • chemotools.adaptation.validation.check_metadata_function
        • chemotools.adaptation.functions.subtract_reference
        • chemotools.adaptation.functions.divide_by_reference
        • chemotools.adaptation.functions.scale_by_factor
        • chemotools.adaptation.functions.add_offset
  • Methods
  • Methods overview
  • Preprocessing

Preprocessing#

Preprocess your data to remove noise and enhance the chemical information contained in the spectra. Common preprocessing techniques include baseline correction, smoothing, normalization, and derivative transformations. These steps help eliminate unwanted variations caused by instrumental drift or sample inconsistencies, allowing the model to focus on the true chemical signals that drive accurate predictions.

API Modules

  • Baseline Methods
    • AirPls
    • ArPls
    • AsLs
    • ConstantBaselineCorrection
    • CubicSplineCorrection
    • LinearCorrection
    • NonNegative
    • PolynomialCorrection
    • RubberbandCorrection
    • SubtractReference
  • Projection Methods
    • DirectOrthogonalization
    • ExternalParameterOrthogonalization
    • OrthogonalPLS
    • OrthogonalSignalCorrection
    • Direct Orthogonalization
    • ExternalParameterOrthogonalization
    • ExternalParameterOrthogonalization
    • OrthogonalSignalCorrection
  • Derivative Methods
    • NorrisWilliams
    • SavitzkyGolay
  • Scale Methods
    • BandScaler
    • MinMaxScaler
    • NormScaler
    • ParetoScaler
    • PointScaler
  • Scatter Methods
    • ExtendedMultiplicativeScatterCorrection
    • MultiplicativeScatterCorrection
    • RobustNormalVariate
    • StandardNormalVariate
  • Smooth Methods
    • MeanFilter
    • MedianFilter
    • ModifiedSincFilter
    • SavitzkyGolayFilter
    • WhittakerSmooth

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