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  2. Datasets
  3. Metrics
  4. Data visualisation
  5. -
  6. Preprocessing
  7. -
  8. Analysis
  9. +
  10. Preprocessing +
  11. +
  12. Analysis +
  13. Synthetic data
  14. Gallery:

      -
    • Tutorials
        +
      • Tutorials
      • -
      • Examples
          +
        • Examples

          Gallery:

            -
          • Tutorials
              +
            • Tutorials
            • -
            • Examples
                +
              • Examples
                • Cell phenotyping
                • Preprocessing pipelines
                • AI-based denoising
                • @@ -262,55 +308,56 @@

                  Source code for ramanspy.load

                   
                   from . import core
                   from . import utils
                  -
                  -# Helper functions copied from mergen's answer at:
                  -# https://stackoverflow.com/questions/7008608/scipy-io-loadmat-nested-structures-i-e-dictionaries
                   from .preprocessing import Pipeline
                   
                   
                   def _loadmat(filename):
                  -    """
                  -    this function should be called instead of direct spio.loadmat
                  -    as it cures the problem of not properly recovering python dictionaries
                  -    from mat files. It calls the function check keys to cure all entries
                  -    which are still mat-objects.
                  -    """
                       data = spio.loadmat(filename, struct_as_record=False, squeeze_me=True)
                  -    return _check_keys(data)
                   
                  +    for key in data:
                  +        if isinstance(data[key], spio.matlab.mat_struct):
                  +            data[key] = _todict(data[key])
                   
                  -# Helper functions copied from mergen's answer at:
                  -# https://stackoverflow.com/questions/7008608/scipy-io-loadmat-nested-structures-i-e-dictionaries
                  -def _check_keys(dict):
                  -    """
                  -    checks if entries in dictionary are mat-objects. If yes
                  -    todict is called to change them to nested dictionaries
                  -    """
                  -    for key in dict:
                  -        if isinstance(dict[key], spio.matlab.mio5_params.mat_struct):
                  -            dict[key] = _todict(dict[key])
                  -    return dict
                  +    return data
                   
                   
                  -# Helper functions copied from mergen's answer at:
                  -# https://stackoverflow.com/questions/7008608/scipy-io-loadmat-nested-structures-i-e-dictionaries
                   def _todict(matobj):
                       """
                  -    A recursive function which constructs from matobjects nested dictionaries
                  +    A recursive function which constructs from matobjects nested dictionaries.
                  +
                  +    From: https://stackoverflow.com/questions/7008608/scipy-io-loadmat-nested-structures-i-e-dictionaries
                       """
                       dict = {}
                       for strg in matobj._fieldnames:
                           elem = matobj.__dict__[strg]
                  -        if isinstance(elem, spio.matlab.mio5_params.mat_struct):
                  +        if isinstance(elem, spio.matlab.mat_struct):
                               dict[strg] = _todict(elem)
                           else:
                               dict[strg] = elem
                       return dict
                   
                   
                  +def get_value(nested_dict, key):
                  +    """
                  +    A recursive function to get the value of a key in a nested dictionary.
                  +    """
                  +    for k, v in nested_dict.items():
                  +        if k == key:
                  +            return v
                  +        elif isinstance(v, dict):
                  +            p = get_value(v, key)
                  +            if p is not None:
                  +                return p
                  +
                  +
                   
                  [docs] -def witec(filename: str, *, preprocess: Pipeline = None, laser_excitation: numbers.Number = 532) -> core.Spectrum or core.SpectralImage: +def witec( + filename: str, + *, + preprocess: Pipeline = None, + laser_excitation: numbers.Number = 532 +) -> core.Spectrum or core.SpectralImage: """ Loads MATLAB files exported from `WITec's WITec Suite software <https://raman.oxinst.com/products/software/witec-software-suite>`_. @@ -330,17 +377,17 @@

                  Source code for ramanspy.load

                   
                       Example
                       ----------
                  -    
                  -    .. code:: 
                  -    
                  +
                  +    .. code::
                  +
                           import ramanspy as rp
                  -       
                  +
                           # Loading a single spectrum
                           raman_spectrum = rp.load.witec("path/to/file/witec_spectrum.mat")
                  -       
                  +
                           # Loading Raman image data
                           raman_image = rp.load.witec("path/to/file/witec_image.mat")
                  -       
                  +
                           # Loading volumetric Raman data from a list of Raman image files by stacking them as layers along the z-axis
                           image_layer_files = ["path/to/file/witec_image_1.mat", ..., "path/to/file/witec_image_n.mat"]
                           raman_image_stack = [rp.load.witec(image_layer_file) for image_layer_file in image_layer_files]
                  @@ -348,39 +395,23 @@ 

                  Source code for ramanspy.load

                       """
                       matlab_dict = _loadmat(filename)
                   
                  -    # metadata = matlab_dict
                  -    # metadata["filename"] = file_name
                  -
                  -    struct_key = next(key for key in matlab_dict.keys() if 'Struct' in key)
                  -    raman_matlab_struct = matlab_dict[struct_key]
                  -
                  -    axis = raman_matlab_struct['axisscale'][1]
                  +    axis = get_value(matlab_dict, 'axisscale')[1]
                       shift_values = utils.wavelength_to_wavenumber(axis[0], laser_excitation) if axis[1] != 'rel. 1/cm' else axis[0]
                   
                  -    spectral_data = raman_matlab_struct['data']
                  +    spectral_data = get_value(matlab_dict, 'data')
                   
                       if len(spectral_data.shape) == 1:  # i.e. single spectrum
                           obj = core.Spectrum(spectral_data, shift_values)
                   
                       elif len(spectral_data.shape) == 2:
                  -        # (y_size, x_size) = raman_matlab_struct['imagesize']
                  -        # image_axis = raman_matlab_struct['imageaxisscale']
                  -        # pixel_scale_y = image_axis[0][0][1] - image_axis[0][0][0]
                  -        # pixel_scale_x = image_axis[1][0][1] - image_axis[1][0][0]
                  -
                  -        # spectra = np.ndarray(shape=(y_size, x_size,))
                  -        # for i in range(x_size):
                  -        #     for j in range(y_size):
                  -        #         spectra[j, i] = spectral_data[i * y_size + j]
                  -
                  -        spectral_data = spectral_data.reshape(raman_matlab_struct['imagesize'][1], raman_matlab_struct['imagesize'][0],
                  -                                              -1).transpose(1, 0, 2)
                  +        imagesize = get_value(matlab_dict, 'imagesize')
                  +        spectral_data = spectral_data.reshape(imagesize[1], imagesize[0], -1).transpose(1, 0, 2)
                   
                           obj = core.SpectralImage(spectral_data, shift_values)
                   
                       else:
                           raise ValueError(
                  -            f'Raman Matlab type {raman_matlab_struct["type"]} and dimension {len(spectral_data.shape)} is unknown')
                  +            f"Raman Matlab type {get_value(matlab_dict, 'type')} and dimension {len(spectral_data.shape)} is unknown")
                   
                       if preprocess is not None:
                           obj = preprocess.apply(obj)
                  @@ -601,7 +632,7 @@ 

                  Source code for ramanspy.load

                           
                  Made with Furo @@ -620,7 +651,9 @@

                  Source code for ramanspy.load

                         
                       
                     
                  -
                  +
                  + + diff --git a/docs/build/html/_templates/autosummary/class.html b/docs/build/html/_templates/autosummary/class.html index 0cee9e5..d47e3d7 100644 --- a/docs/build/html/_templates/autosummary/class.html +++ b/docs/build/html/_templates/autosummary/class.html @@ -314,7 +314,7 @@
                  Made with Furo diff --git a/docs/build/html/analysis.html b/docs/build/html/analysis.html index 55c8466..0bb56ea 100644 --- a/docs/build/html/analysis.html +++ b/docs/build/html/analysis.html @@ -422,7 +422,7 @@

                  Integrative analysis
                  Made with Furo diff --git a/docs/build/html/auto_examples/index.html b/docs/build/html/auto_examples/index.html index 70d7458..abb2383 100644 --- a/docs/build/html/auto_examples/index.html +++ b/docs/build/html/auto_examples/index.html @@ -357,7 +357,7 @@

                  Examples
                  Made with Furo diff --git a/docs/build/html/auto_examples/plot_i_package_overview.html b/docs/build/html/auto_examples/plot_i_package_overview.html index e6f679c..6471104 100644 --- a/docs/build/html/auto_examples/plot_i_package_overview.html +++ b/docs/build/html/auto_examples/plot_i_package_overview.html @@ -561,7 +561,7 @@

                  References
                  Made with Furo diff --git a/docs/build/html/auto_examples/plot_i_preprocessing_pipelines.html b/docs/build/html/auto_examples/plot_i_preprocessing_pipelines.html index f19dc73..8bd3576 100644 --- a/docs/build/html/auto_examples/plot_i_preprocessing_pipelines.html +++ b/docs/build/html/auto_examples/plot_i_preprocessing_pipelines.html @@ -515,7 +515,7 @@

                  References
                  Made with Furo diff --git a/docs/build/html/auto_examples/plot_ii_dl_denoising.html b/docs/build/html/auto_examples/plot_ii_dl_denoising.html index 4bda4ce..b86eec2 100644 --- a/docs/build/html/auto_examples/plot_ii_dl_denoising.html +++ b/docs/build/html/auto_examples/plot_ii_dl_denoising.html @@ -839,7 +839,7 @@

                  References
                  Made with Furo diff --git a/docs/build/html/auto_examples/plot_iii_bacteria_classification.html b/docs/build/html/auto_examples/plot_iii_bacteria_classification.html index 4e36a8f..650c9f4 100644 --- a/docs/build/html/auto_examples/plot_iii_bacteria_classification.html +++ b/docs/build/html/auto_examples/plot_iii_bacteria_classification.html @@ -842,7 +842,7 @@

                  References
                  Made with Furo diff --git a/docs/build/html/auto_examples/sg_execution_times.html b/docs/build/html/auto_examples/sg_execution_times.html index 6b9aa01..e477451 100644 --- a/docs/build/html/auto_examples/sg_execution_times.html +++ b/docs/build/html/auto_examples/sg_execution_times.html @@ -339,7 +339,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/i-classes/plot_i_generic_container.html b/docs/build/html/auto_tutorials/i-classes/plot_i_generic_container.html index 46f57ab..7ba6147 100644 --- a/docs/build/html/auto_tutorials/i-classes/plot_i_generic_container.html +++ b/docs/build/html/auto_tutorials/i-classes/plot_i_generic_container.html @@ -510,7 +510,7 @@

                  IO

                  Made with Furo diff --git a/docs/build/html/auto_tutorials/i-classes/plot_ii_spectrum_container.html b/docs/build/html/auto_tutorials/i-classes/plot_ii_spectrum_container.html index 95d0c35..dc3ec2c 100644 --- a/docs/build/html/auto_tutorials/i-classes/plot_ii_spectrum_container.html +++ b/docs/build/html/auto_tutorials/i-classes/plot_ii_spectrum_container.html @@ -385,7 +385,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/i-classes/plot_iii_image_container.html b/docs/build/html/auto_tutorials/i-classes/plot_iii_image_container.html index c82ec88..35d0e49 100644 --- a/docs/build/html/auto_tutorials/i-classes/plot_iii_image_container.html +++ b/docs/build/html/auto_tutorials/i-classes/plot_iii_image_container.html @@ -398,7 +398,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/i-classes/plot_iv_volume_container.html b/docs/build/html/auto_tutorials/i-classes/plot_iv_volume_container.html index 9b7bb16..819848a 100644 --- a/docs/build/html/auto_tutorials/i-classes/plot_iv_volume_container.html +++ b/docs/build/html/auto_tutorials/i-classes/plot_iv_volume_container.html @@ -409,7 +409,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/i-classes/sg_execution_times.html b/docs/build/html/auto_tutorials/i-classes/sg_execution_times.html index cab7bd1..1365e39 100644 --- a/docs/build/html/auto_tutorials/i-classes/sg_execution_times.html +++ b/docs/build/html/auto_tutorials/i-classes/sg_execution_times.html @@ -339,7 +339,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/ii-instrumental/i_witec.html b/docs/build/html/auto_tutorials/ii-instrumental/i_witec.html index 58e0adb..bcbe3fd 100644 --- a/docs/build/html/auto_tutorials/ii-instrumental/i_witec.html +++ b/docs/build/html/auto_tutorials/ii-instrumental/i_witec.html @@ -368,7 +368,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/ii-instrumental/ii_renishaw.html b/docs/build/html/auto_tutorials/ii-instrumental/ii_renishaw.html index a861a50..a19308b 100644 --- a/docs/build/html/auto_tutorials/ii-instrumental/ii_renishaw.html +++ b/docs/build/html/auto_tutorials/ii-instrumental/ii_renishaw.html @@ -357,7 +357,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/ii-instrumental/iii_ocean_insight.html b/docs/build/html/auto_tutorials/ii-instrumental/iii_ocean_insight.html index 0fc896b..908ba7c 100644 --- a/docs/build/html/auto_tutorials/ii-instrumental/iii_ocean_insight.html +++ b/docs/build/html/auto_tutorials/ii-instrumental/iii_ocean_insight.html @@ -357,7 +357,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/ii-instrumental/iv_other.html b/docs/build/html/auto_tutorials/ii-instrumental/iv_other.html index 5db4079..2b769fc 100644 --- a/docs/build/html/auto_tutorials/ii-instrumental/iv_other.html +++ b/docs/build/html/auto_tutorials/ii-instrumental/iv_other.html @@ -374,7 +374,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iii-datasets/ii_rruff.html b/docs/build/html/auto_tutorials/iii-datasets/ii_rruff.html index adcf8b1..4deb73d 100644 --- a/docs/build/html/auto_tutorials/iii-datasets/ii_rruff.html +++ b/docs/build/html/auto_tutorials/iii-datasets/ii_rruff.html @@ -362,7 +362,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iii-datasets/plot_i_bacteria.html b/docs/build/html/auto_tutorials/iii-datasets/plot_i_bacteria.html index 3cf35ab..1d946ef 100644 --- a/docs/build/html/auto_tutorials/iii-datasets/plot_i_bacteria.html +++ b/docs/build/html/auto_tutorials/iii-datasets/plot_i_bacteria.html @@ -442,7 +442,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iii-datasets/plot_ii_metrics.html b/docs/build/html/auto_tutorials/iii-datasets/plot_ii_metrics.html index 6c575a7..4005c44 100644 --- a/docs/build/html/auto_tutorials/iii-datasets/plot_ii_metrics.html +++ b/docs/build/html/auto_tutorials/iii-datasets/plot_ii_metrics.html @@ -394,7 +394,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iii-datasets/sg_execution_times.html b/docs/build/html/auto_tutorials/iii-datasets/sg_execution_times.html index 4eb3362..23c0fac 100644 --- a/docs/build/html/auto_tutorials/iii-datasets/sg_execution_times.html +++ b/docs/build/html/auto_tutorials/iii-datasets/sg_execution_times.html @@ -335,7 +335,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/index.html b/docs/build/html/auto_tutorials/index.html index 876a5c4..e949a2c 100644 --- a/docs/build/html/auto_tutorials/index.html +++ b/docs/build/html/auto_tutorials/index.html @@ -463,7 +463,7 @@

                  Synthetic data generation
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_i_spectra.html b/docs/build/html/auto_tutorials/iv-viz/plot_i_spectra.html index 1c34141..fb82ad0 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_i_spectra.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_i_spectra.html @@ -485,7 +485,7 @@

                  Single stacked plots
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_ii_peaks.html b/docs/build/html/auto_tutorials/iv-viz/plot_ii_peaks.html index b04b453..2b47bd4 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_ii_peaks.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_ii_peaks.html @@ -383,7 +383,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_ii_spectra_mean.html b/docs/build/html/auto_tutorials/iv-viz/plot_ii_spectra_mean.html index 41e96e8..3859564 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_ii_spectra_mean.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_ii_spectra_mean.html @@ -441,7 +441,7 @@

                  Single stacked plots
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_iii_image.html b/docs/build/html/auto_tutorials/iv-viz/plot_iii_image.html index d20a3c0..a1d94c1 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_iii_image.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_iii_image.html @@ -402,7 +402,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_iv_volume.html b/docs/build/html/auto_tutorials/iv-viz/plot_iv_volume.html index 1d6c5b2..a840e69 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_iv_volume.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_iv_volume.html @@ -391,7 +391,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_v_peak_dist.html b/docs/build/html/auto_tutorials/iv-viz/plot_v_peak_dist.html index 6c87c3d..39e345b 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_v_peak_dist.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_v_peak_dist.html @@ -393,7 +393,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/plot_vi_customisation.html b/docs/build/html/auto_tutorials/iv-viz/plot_vi_customisation.html index aeb35c4..bbe6a38 100644 --- a/docs/build/html/auto_tutorials/iv-viz/plot_vi_customisation.html +++ b/docs/build/html/auto_tutorials/iv-viz/plot_vi_customisation.html @@ -541,7 +541,7 @@

                  Changing other settings
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/iv-viz/sg_execution_times.html b/docs/build/html/auto_tutorials/iv-viz/sg_execution_times.html index 5cf9853..0f386d4 100644 --- a/docs/build/html/auto_tutorials/iv-viz/sg_execution_times.html +++ b/docs/build/html/auto_tutorials/iv-viz/sg_execution_times.html @@ -351,7 +351,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/v-preprocessing/plot_i_predefined_methods.html b/docs/build/html/auto_tutorials/v-preprocessing/plot_i_predefined_methods.html index cf655ad..625ccee 100644 --- a/docs/build/html/auto_tutorials/v-preprocessing/plot_i_predefined_methods.html +++ b/docs/build/html/auto_tutorials/v-preprocessing/plot_i_predefined_methods.html @@ -432,7 +432,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/v-preprocessing/plot_ii_custom_method.html b/docs/build/html/auto_tutorials/v-preprocessing/plot_ii_custom_method.html index 780c504..17589d1 100644 --- a/docs/build/html/auto_tutorials/v-preprocessing/plot_ii_custom_method.html +++ b/docs/build/html/auto_tutorials/v-preprocessing/plot_ii_custom_method.html @@ -419,7 +419,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/v-preprocessing/plot_iii_custom_pipeline.html b/docs/build/html/auto_tutorials/v-preprocessing/plot_iii_custom_pipeline.html index 0d8be39..60331d4 100644 --- a/docs/build/html/auto_tutorials/v-preprocessing/plot_iii_custom_pipeline.html +++ b/docs/build/html/auto_tutorials/v-preprocessing/plot_iii_custom_pipeline.html @@ -423,7 +423,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/v-preprocessing/plot_iv_predefined_pipeline.html b/docs/build/html/auto_tutorials/v-preprocessing/plot_iv_predefined_pipeline.html index 0764d94..e1eb025 100644 --- a/docs/build/html/auto_tutorials/v-preprocessing/plot_iv_predefined_pipeline.html +++ b/docs/build/html/auto_tutorials/v-preprocessing/plot_iv_predefined_pipeline.html @@ -394,7 +394,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/v-preprocessing/sg_execution_times.html b/docs/build/html/auto_tutorials/v-preprocessing/sg_execution_times.html index 6d47855..655b2c8 100644 --- a/docs/build/html/auto_tutorials/v-preprocessing/sg_execution_times.html +++ b/docs/build/html/auto_tutorials/v-preprocessing/sg_execution_times.html @@ -339,7 +339,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vi-analysis/plot_i_decomposition.html b/docs/build/html/auto_tutorials/vi-analysis/plot_i_decomposition.html index 8db88f8..ba191a5 100644 --- a/docs/build/html/auto_tutorials/vi-analysis/plot_i_decomposition.html +++ b/docs/build/html/auto_tutorials/vi-analysis/plot_i_decomposition.html @@ -427,7 +427,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vi-analysis/plot_ii_kmeans.html b/docs/build/html/auto_tutorials/vi-analysis/plot_ii_kmeans.html index b71cda9..6640e4c 100644 --- a/docs/build/html/auto_tutorials/vi-analysis/plot_ii_kmeans.html +++ b/docs/build/html/auto_tutorials/vi-analysis/plot_ii_kmeans.html @@ -404,7 +404,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vi-analysis/plot_iii_unmixing.html b/docs/build/html/auto_tutorials/vi-analysis/plot_iii_unmixing.html index a55951f..7478648 100644 --- a/docs/build/html/auto_tutorials/vi-analysis/plot_iii_unmixing.html +++ b/docs/build/html/auto_tutorials/vi-analysis/plot_iii_unmixing.html @@ -426,7 +426,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vi-analysis/plot_iv_integrative_svm.html b/docs/build/html/auto_tutorials/vi-analysis/plot_iv_integrative_svm.html index 5b63480..f8422e8 100644 --- a/docs/build/html/auto_tutorials/vi-analysis/plot_iv_integrative_svm.html +++ b/docs/build/html/auto_tutorials/vi-analysis/plot_iv_integrative_svm.html @@ -392,7 +392,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vi-analysis/plot_v_integrative_nn.html b/docs/build/html/auto_tutorials/vi-analysis/plot_v_integrative_nn.html index 38f63a3..983d734 100644 --- a/docs/build/html/auto_tutorials/vi-analysis/plot_v_integrative_nn.html +++ b/docs/build/html/auto_tutorials/vi-analysis/plot_v_integrative_nn.html @@ -506,7 +506,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vi-analysis/sg_execution_times.html b/docs/build/html/auto_tutorials/vi-analysis/sg_execution_times.html index e081950..0f52b6a 100644 --- a/docs/build/html/auto_tutorials/vi-analysis/sg_execution_times.html +++ b/docs/build/html/auto_tutorials/vi-analysis/sg_execution_times.html @@ -343,7 +343,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vii-synth/plot_i_endmembers.html b/docs/build/html/auto_tutorials/vii-synth/plot_i_endmembers.html index d5dd1c5..c75addd 100644 --- a/docs/build/html/auto_tutorials/vii-synth/plot_i_endmembers.html +++ b/docs/build/html/auto_tutorials/vii-synth/plot_i_endmembers.html @@ -358,7 +358,7 @@
                  Made with Furo diff --git a/docs/build/html/auto_tutorials/vii-synth/sg_execution_times.html b/docs/build/html/auto_tutorials/vii-synth/sg_execution_times.html index e52d451..9bab3e8 100644 --- a/docs/build/html/auto_tutorials/vii-synth/sg_execution_times.html +++ b/docs/build/html/auto_tutorials/vii-synth/sg_execution_times.html @@ -327,7 +327,7 @@
                  Made with Furo diff --git a/docs/build/html/data_classes.html b/docs/build/html/data_classes.html index 594b598..ab5ccae 100644 --- a/docs/build/html/data_classes.html +++ b/docs/build/html/data_classes.html @@ -313,7 +313,7 @@

                  Data containersSpectralContainer, as well as the more specialised Spectrum, SpectralImage and SpectralVolume classes, which correspond to single spectra, Raman imaging data and volumetric Raman data respectively.

                  -

                  For the most part, the construction of these classes is automated through the various Data loading and Datasets +

                  For the most part, the construction of these classes is automated through the various Data loading and Datasets methods in RamanSPy. However, the containers can be populated manually as well, if required.

                  Note

                  @@ -422,6 +422,12 @@

                  Generic container +
                  +tolist() list[Spectrum][source]
                  +

                  Returns the spectral object as a list of Spectrum objects.

                  +
                  +

              diff --git a/docs/build/html/datasets.html b/docs/build/html/datasets.html index b387706..94aabc5 100644 --- a/docs/build/html/datasets.html +++ b/docs/build/html/datasets.html @@ -648,7 +648,7 @@

              Examples:
              Made with Furo diff --git a/docs/build/html/examples/README.html b/docs/build/html/examples/README.html index a5fc873..b63affd 100644 --- a/docs/build/html/examples/README.html +++ b/docs/build/html/examples/README.html @@ -317,7 +317,7 @@

              Examples
              Made with Furo diff --git a/docs/build/html/generated/analysis/cluster/ramanspy.analysis.cluster.KMeans.html b/docs/build/html/generated/analysis/cluster/ramanspy.analysis.cluster.KMeans.html index 359d69b..70c7512 100644 --- a/docs/build/html/generated/analysis/cluster/ramanspy.analysis.cluster.KMeans.html +++ b/docs/build/html/generated/analysis/cluster/ramanspy.analysis.cluster.KMeans.html @@ -370,7 +370,7 @@

              ramanspy.analysis.cluster.KMeans
              Made with Furo diff --git a/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.ICA.html b/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.ICA.html index ad091da..4fb85a5 100644 --- a/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.ICA.html +++ b/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.ICA.html @@ -370,7 +370,7 @@

              ramanspy.analysis.decompose.ICA
              Made with Furo diff --git a/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.NMF.html b/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.NMF.html index 4f6890b..b1cf77e 100644 --- a/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.NMF.html +++ b/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.NMF.html @@ -371,7 +371,7 @@

              ramanspy.analysis.decompose.NMF
              Made with Furo diff --git a/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.PCA.html b/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.PCA.html index bb3a246..12d3453 100644 --- a/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.PCA.html +++ b/docs/build/html/generated/analysis/decompose/ramanspy.analysis.decompose.PCA.html @@ -370,7 +370,7 @@

              ramanspy.analysis.decompose.PCA
              Made with Furo diff --git a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.FIPPI.html b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.FIPPI.html index de0605d..9dfa2ac 100644 --- a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.FIPPI.html +++ b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.FIPPI.html @@ -378,7 +378,7 @@

              ramanspy.analysis.unmix.FIPPI
              Made with Furo diff --git a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.NFINDR.html b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.NFINDR.html index 65178cb..6472cc0 100644 --- a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.NFINDR.html +++ b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.NFINDR.html @@ -378,7 +378,7 @@

              ramanspy.analysis.unmix.NFINDR
              Made with Furo diff --git a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.PPI.html b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.PPI.html index efa24fa..43a10f2 100644 --- a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.PPI.html +++ b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.PPI.html @@ -378,7 +378,7 @@

              ramanspy.analysis.unmix.PPI
              Made with Furo diff --git a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.VCA.html b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.VCA.html index 7b1d8a0..dd6cfad 100644 --- a/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.VCA.html +++ b/docs/build/html/generated/analysis/unmix/ramanspy.analysis.unmix.VCA.html @@ -379,7 +379,7 @@

              ramanspy.analysis.unmix.VCA
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html index cce1e21..e512166 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.AIRPLS.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.AIRPLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html index 63c2c9d..3901657 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ARPLS.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.ARPLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html index 93c0c89..6dabe5c 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASLS.html @@ -370,7 +370,7 @@

              ramanspy.preprocessing.baseline.ASLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html index dca6436..d56674d 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ASPLS.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.ASPLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html index 1b1a75b..ea93ad6 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.CornerCutting.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.CornerCutting
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html index 848bb38..29b5927 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.DRPLS.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.DRPLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html index f4271a1..be2a601 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.FABC.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.FABC
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html index 6a89661..179ca41 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.Goldindec.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.Goldindec
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html index 6350959..984de0c 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IARPLS.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.IARPLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html index eba1b8f..fddaaf8 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IASLS.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.IASLS
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IRSQR.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IRSQR.html index 5ed0cad..d81df72 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IRSQR.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.IRSQR.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.baseline.IRSQR
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html index aa2ca5f..fff110f 100644 --- a/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html +++ b/docs/build/html/generated/prepprocessing/baseline/ramanspy.preprocessing.baseline.ModPoly.html @@ -370,7 +370,7 @@

              ramanspy.preprocessing.baseline.ModPoly
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              ramanspy.preprocessing.baseline.Poly
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              ramanspy.preprocessing.denoise.Gaussian
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              ramanspy.preprocessing.denoise.Kernel
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              ramanspy.preprocessing.denoise.SavGol
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              ramanspy.preprocessing.denoise.Whittaker
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              ramanspy.preprocessing.misc.BackgroundSubtractor
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              ramanspy.preprocessing.misc.Cropper
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.AUC.html b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.AUC.html index ece7698..f40cb46 100644 --- a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.AUC.html +++ b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.AUC.html @@ -368,7 +368,7 @@

              ramanspy.preprocessing.normalise.AUC
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              ramanspy.preprocessing.normalise.MaxIntensity
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              ramanspy.preprocessing.normalise.MinMax
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html index cd4c446..2e888cb 100644 --- a/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html +++ b/docs/build/html/generated/prepprocessing/norm/ramanspy.preprocessing.normalise.Vector.html @@ -369,7 +369,7 @@

              ramanspy.preprocessing.normalise.Vector
              Made with Furo diff --git a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html index 79c6a40..e0254e9 100644 --- a/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html +++ b/docs/build/html/generated/prepprocessing/protocols/ramanspy.preprocessing.protocols.bergholt2016.html @@ -359,7 +359,7 @@

              ramanspy.preprocessing.protocols.bergholt2016
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              ramanspy.preprocessing.protocols.georgiev2023_P1
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              ramanspy.preprocessing.protocols.georgiev2023_P3
              Made with Furo diff --git a/docs/build/html/genindex.html b/docs/build/html/genindex.html index 13100f8..5d13b02 100644 --- a/docs/build/html/genindex.html +++ b/docs/build/html/genindex.html @@ -301,7 +301,7 @@

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              Made with Furo diff --git a/docs/build/html/index.html b/docs/build/html/index.html index c61b023..9f00c35 100644 --- a/docs/build/html/index.html +++ b/docs/build/html/index.html @@ -378,7 +378,7 @@

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b/docs/build/html/synth.html @@ -472,7 +472,7 @@

              Synthetic mixture datasets
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              Tutorials
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              Data containers
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              Data loading
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              Datasets and metrics
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              Data visualisation
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              Preprocessing
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              Analysis
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              Synthetic data generation
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