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Tutorials

  • Install
  • Examples
    • Example API Usage: Characterizing a Single Compound
    • Example API Usage: Analyzing a Batch of Spectra

API Reference

  • finchnmr
    • finchnmr package
  • .rst

finchnmr

finchnmr#

  • finchnmr package
    • Submodules
    • finchnmr.analysis module
      • Analysis
        • Analysis.build_residual()
        • Analysis.get_top_substances()
        • Analysis.plot_residual()
        • Analysis.plot_top_importances()
        • Analysis.plot_top_spectra()
      • plot_stacked_importances()
    • finchnmr.library module
      • Library
        • Library.X
        • Library.fit()
        • Library.is_fitted_
        • Library.save()
        • Library.substance_by_index()
        • Library.substance_by_name()
    • finchnmr.model module
      • LASSO
        • LASSO.alpha
        • LASSO.copy_X
        • LASSO.fit_intercept
        • LASSO.get_model_params()
        • LASSO.importances()
        • LASSO.max_iter
        • LASSO.positive
        • LASSO.precompute
        • LASSO.random_state
        • LASSO.selection
        • LASSO.set_fit_request()
        • LASSO.tol
        • LASSO.warm_start
      • optimize_models()
    • finchnmr.substance module
      • Substance
        • Substance.bin_spectrum()
        • Substance.data
        • Substance.extent
        • Substance.fit()
        • Substance.flatten()
        • Substance.from_xml()
        • Substance.name
        • Substance.plot()
        • Substance.read()
        • Substance.scale
        • Substance.unflatten()
    • finchnmr.xml_parser module
      • parse_peak_file()
    • Module contents

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Example API Usage: Analyzing a Batch of Spectra

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finchnmr package

By Nathan A. Mahynski

© Copyright 2024, Nathan A. Mahynski.