mocca
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mocca
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Index
A
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B
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C
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D
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E
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F
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G
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H
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I
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K
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L
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M
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N
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O
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P
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Q
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R
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S
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T
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U
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W
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Y
A
absorbance_threshold (mocca.user_interaction.settings.Settings attribute)
absorbance_to_array() (in module mocca.dad_data.utils)
add_hplc_input() (mocca.user_interaction.campaign.HplcDadCampaign method)
apply_filter() (in module mocca.dad_data.utils)
assign_best_match_peak() (in module mocca.chromatogram.assign)
assign_matched_peaks() (in module mocca.chromatogram.assign)
assign_peaks_compound() (in module mocca.chromatogram.assign)
assign_peaks_react() (in module mocca.chromatogram.assign)
assign_unmatched_peaks_compound() (in module mocca.chromatogram.assign)
assign_unmatched_peaks_react() (in module mocca.chromatogram.assign)
average_peak_spectrum() (in module mocca.peak.utils)
average_ret_times_over_peaks() (in module mocca.components.utils)
average_spectra_over_peaks() (in module mocca.components.utils)
B
BaseDatabase (class in mocca.components.databases)
BasePeak (class in mocca.peak.models)
boundaries (mocca.dad_data.models.ParafacData attribute)
(mocca.decomposition.model.DataTensor attribute)
bsl_als() (in module mocca.dad_data.process_gradientdata)
bsl_als_alg() (in module mocca.dad_data.process_gradientdata)
C
calib_data (mocca.components.models.QuantComponent attribute)
calib_factors (mocca.components.models.QuantComponent attribute)
calib_scores (mocca.components.models.QuantComponent attribute)
check_absorbance_thresh() (in module mocca.decomposition.utils)
check_any_compound_overlap() (in module mocca.decomposition.utils)
check_comp_in_impure() (in module mocca.decomposition.utils)
check_comp_overlap() (in module mocca.decomposition.utils)
check_istd() (in module mocca.campaign.utils)
check_overlap() (in module mocca.chromatogram.utils)
check_peak() (in module mocca.peak.check)
check_peak_purity() (in module mocca.peak.check)
check_peak_saturation() (in module mocca.peak.check)
check_peaks_compound_id() (in module mocca.components.utils)
check_same_dataset() (in module mocca.chromatogram.utils)
check_same_uvvis() (in module mocca.decomposition.utils)
check_summed_factor_uvvis() (in module mocca.decomposition.utils)
CheckedPeak (class in mocca.peak.models)
Chromatogram (class in mocca.chromatogram.model)
comp_tensor_shape (mocca.decomposition.model.DataTensor attribute)
Compound (class in mocca.user_interaction.user_objects)
compound (mocca.user_interaction.user_objects.HplcInput attribute)
compound_id (mocca.components.models.QualiComponent attribute)
(mocca.components.models.QuantComponent attribute)
(mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
CompoundData (class in mocca.dad_data.models)
conc (mocca.user_interaction.user_objects.Compound attribute)
(mocca.user_interaction.user_objects.InternalStandard attribute)
concentration (mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
correct_istd_offset() (in module mocca.chromatogram.correct)
correct_offset() (in module mocca.peak.correct)
CorrectedPeak (class in mocca.peak.models)
create_calibration_dict() (in module mocca.components.quant_funcs)
create_data_tensor() (in module mocca.decomposition.data_tensor)
create_linear_models() (in module mocca.components.quant_funcs)
create_parafac_peak() (in module mocca.peak.resolve_impure)
create_parafac_peaks() (mocca.decomposition.model.ParafacModel method)
create_pure_peak() (in module mocca.peak.resolve_impure)
create_quali_component() (in module mocca.components.quali_funcs)
create_quant_component() (in module mocca.components.quant_funcs)
created_from (mocca.components.models.QualiComponent attribute)
(mocca.components.models.QuantComponent attribute)
custom_data (mocca.user_interaction.user_objects.HplcInput attribute)
CustomData (class in mocca.user_interaction.user_objects)
D
DadData (class in mocca.dad_data.models)
data (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.user_objects.CustomData attribute)
data_tensor (mocca.decomposition.model.ParafacModel attribute)
dataset (mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.PickedPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
(mocca.user_interaction.user_objects.Gradient attribute)
DataTensor (class in mocca.decomposition.model)
delete_all_items() (mocca.components.databases.BaseDatabase method)
detector_limit (mocca.user_interaction.settings.Settings attribute)
df_to_array() (in module mocca.dad_data.utils)
E
estimate_pca_n_comps() (in module mocca.decomposition.parafac_funcs)
expand_peak() (in module mocca.peak.expand)
experiment (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
F
factors (mocca.decomposition.model.ParafacModel attribute)
filter_peaks() (in module mocca.components.utils)
G
get_absorbance_maxima() (in module mocca.components.quali_funcs)
get_agilent_thresholds() (in module mocca.peak.purity_funcs)
get_all_comp_sum() (in module mocca.decomposition.alternative_objective_funcs)
get_all_non_comp_sum() (in module mocca.decomposition.alternative_objective_funcs)
get_best_match_compound_id() (in module mocca.chromatogram.assign)
get_comp_peak_data_list() (in module mocca.decomposition.data_tensor)
get_comp_peaks() (in module mocca.decomposition.data_tensor)
get_comp_sum() (in module mocca.decomposition.alternative_objective_funcs)
get_correls() (in module mocca.peak.purity_funcs)
get_distance_between() (in module mocca.chromatogram.utils)
get_filtered_peaks() (in module mocca.components.utils)
get_filtered_peaks_by_compound() (in module mocca.components.utils)
get_filtered_similarity_dicts() (in module mocca.peak.match)
get_function_paramenters() (in module mocca.dad_data.apis.allotrope)
get_impure_integral_sum() (in module mocca.decomposition.alternative_objective_funcs)
get_impure_istd_peak() (in module mocca.chromatogram.correct)
get_integrate_wl_index() (in module mocca.components.quant_funcs)
get_istd_offset() (in module mocca.chromatogram.correct)
get_istd_peak() (in module mocca.chromatogram.correct)
get_matched_peaks() (in module mocca.chromatogram.assign)
get_max_integral_peak() (in module mocca.chromatogram.assign)
get_max_loc() (in module mocca.peak.purity_funcs)
get_next_unknown_id() (in module mocca.chromatogram.assign)
get_noise_variance() (in module mocca.peak.purity_funcs)
get_non_comp_sum() (in module mocca.decomposition.alternative_objective_funcs)
get_offset_peak_to_comp() (in module mocca.decomposition.data_tensor)
get_parafac_data_shift() (in module mocca.peak.resolve_impure)
get_parafac_tensor() (in module mocca.decomposition.data_tensor)
get_pca_explained_variance() (in module mocca.peak.purity_funcs)
get_peak_data() (in module mocca.peak.utils)
get_peak_locs() (in module mocca.dad_data.process_funcs)
get_pure_istd_peak() (in module mocca.chromatogram.correct)
get_purity_value_agilent() (in module mocca.peak.purity_funcs)
get_quant_peaks_by_compound() (in module mocca.components.utils)
get_reference_signal() (in module mocca.dad_data.utils)
get_relative_distance() (in module mocca.peak.match)
get_relevant_comp() (in module mocca.decomposition.data_tensor)
get_retention_times() (in module mocca.peak.utils)
get_similarity_dicts() (in module mocca.peak.match)
get_sorted_compound_experiments() (in module mocca.campaign.experiment_funcs)
get_spectrum_correl_coef() (in module mocca.peak.match)
get_tensor_boundaries() (in module mocca.decomposition.data_tensor)
get_total_integral_sum() (in module mocca.decomposition.alternative_objective_funcs)
get_trimmed_peak_data() (in module mocca.peak.purity_funcs)
get_unknown_impurity_peaks() (in module mocca.chromatogram.assign)
get_unmatched_peaks() (in module mocca.chromatogram.assign)
get_unprocessed_experiments() (in module mocca.campaign.experiment_funcs)
get_uvvis_dataset_name() (in module mocca.dad_data.apis.allotrope)
get_valid_peaks() (in module mocca.components.utils)
get_zero_ext_impure_peak_data() (in module mocca.decomposition.data_tensor)
get_zero_extended_peak_data() (in module mocca.decomposition.data_tensor)
get_zeros_array() (in module mocca.decomposition.data_tensor)
Gradient (class in mocca.user_interaction.user_objects)
gradient (mocca.user_interaction.user_objects.HplcInput attribute)
GradientData (class in mocca.dad_data.models)
H
hplc_system_tag (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.settings.Settings attribute)
HplcDadCampaign (class in mocca.user_interaction.campaign)
HplcInput (class in mocca.user_interaction.user_objects)
I
idx (mocca.peak.models.PickedPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
impure_mse (mocca.decomposition.model.ParafacModel attribute)
impure_peak (mocca.dad_data.models.ParafacData attribute)
(mocca.decomposition.model.ParafacModel attribute)
increment_unknown_counter() (mocca.peak.database.PeakDatabase method)
insert_by_compound_id() (mocca.components.databases.QualiComponentDatabase method)
insert_item() (mocca.components.databases.BaseDatabase method)
insert_peak() (mocca.chromatogram.model.Chromatogram method)
(mocca.peak.database.PeakDatabase method)
integral (mocca.peak.models.IntegratedPeak attribute)
(mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
integrate_on_wl() (in module mocca.components.quant_funcs)
integrate_peak() (in module mocca.peak.integrate)
integrate_wl_idx (mocca.components.models.QuantComponent attribute)
IntegratedPeak (class in mocca.peak.models)
InternalStandard (class in mocca.user_interaction.user_objects)
is_compound (mocca.peak.models.ProcessedPeak attribute)
is_istd (mocca.user_interaction.user_objects.Compound attribute)
is_solvent (mocca.user_interaction.user_objects.Compound attribute)
is_unimodal() (in module mocca.peak.utils)
istd (mocca.peak.models.CorrectedPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
(mocca.user_interaction.user_objects.HplcInput attribute)
IstdPeak (class in mocca.peak.models)
iter_objective_func (mocca.decomposition.model.ParafacModel attribute)
iter_offset (mocca.decomposition.model.ParafacModel attribute)
iterative_parafac() (in module mocca.decomposition.iterative_parafac)
K
key (mocca.user_interaction.user_objects.Compound attribute)
(mocca.user_interaction.user_objects.InternalStandard attribute)
L
left (mocca.components.models.QualiComponent attribute)
(mocca.peak.models.BasePeak attribute)
(mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
load_campaign() (mocca.user_interaction.campaign.HplcDadCampaign method)
M
match_peak() (in module mocca.peak.match)
matches (mocca.peak.models.PreprocessedPeak attribute)
maximum (mocca.components.models.QualiComponent attribute)
(mocca.peak.models.BasePeak attribute)
(mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
merge_peaks() (in module mocca.dad_data.process_funcs)
mocca
module
mocca.campaign
module
mocca.campaign.experiment_funcs
module
mocca.campaign.process_funcs
module
mocca.campaign.utils
module
mocca.chromatogram
module
mocca.chromatogram.assign
module
mocca.chromatogram.correct
module
mocca.chromatogram.model
module
mocca.chromatogram.preprocessor
module
mocca.chromatogram.quantify
module
mocca.chromatogram.utils
module
mocca.components
module
mocca.components.databases
module
mocca.components.models
module
mocca.components.quali_funcs
module
mocca.components.quant_funcs
module
mocca.components.utils
module
mocca.dad_data
module
mocca.dad_data.apis
module
mocca.dad_data.apis.allotrope
module
mocca.dad_data.apis.angi
module
mocca.dad_data.apis.chemstation
module
mocca.dad_data.apis.custom
module
mocca.dad_data.apis.empower
module
mocca.dad_data.apis.labsolutions
module
mocca.dad_data.models
module
mocca.dad_data.process_funcs
module
mocca.dad_data.process_gradientdata
module
mocca.dad_data.utils
module
mocca.decomposition
module
mocca.decomposition.alternative_objective_funcs
module
mocca.decomposition.data_tensor
module
mocca.decomposition.iterative_parafac
module
mocca.decomposition.model
module
mocca.decomposition.parafac_funcs
module
mocca.decomposition.utils
module
mocca.peak
module
mocca.peak.check
module
mocca.peak.correct
module
mocca.peak.database
module
mocca.peak.expand
module
mocca.peak.integrate
module
mocca.peak.match
module
mocca.peak.models
module
mocca.peak.process
module
mocca.peak.purity_funcs
module
mocca.peak.quantify
module
mocca.peak.resolve_impure
module
mocca.peak.utils
module
mocca.report
module
mocca.report.utils
module
mocca.user_interaction
module
mocca.user_interaction.campaign
module
mocca.user_interaction.settings
module
mocca.user_interaction.suggest_calibration
module
mocca.user_interaction.user_objects
module
mocca.visualization
module
mocca.visualization.basic_plots
module
mocca.visualization.calibration_plots
module
mocca.visualization.parafac_plots
module
mocca.visualization.results_plot
module
mocca.visualization.utils
module
module
mocca
mocca.campaign
mocca.campaign.experiment_funcs
mocca.campaign.process_funcs
mocca.campaign.utils
mocca.chromatogram
mocca.chromatogram.assign
mocca.chromatogram.correct
mocca.chromatogram.model
mocca.chromatogram.preprocessor
mocca.chromatogram.quantify
mocca.chromatogram.utils
mocca.components
mocca.components.databases
mocca.components.models
mocca.components.quali_funcs
mocca.components.quant_funcs
mocca.components.utils
mocca.dad_data
mocca.dad_data.apis
mocca.dad_data.apis.allotrope
mocca.dad_data.apis.angi
mocca.dad_data.apis.chemstation
mocca.dad_data.apis.custom
mocca.dad_data.apis.empower
mocca.dad_data.apis.labsolutions
mocca.dad_data.models
mocca.dad_data.process_funcs
mocca.dad_data.process_gradientdata
mocca.dad_data.utils
mocca.decomposition
mocca.decomposition.alternative_objective_funcs
mocca.decomposition.data_tensor
mocca.decomposition.iterative_parafac
mocca.decomposition.model
mocca.decomposition.parafac_funcs
mocca.decomposition.utils
mocca.peak
mocca.peak.check
mocca.peak.correct
mocca.peak.database
mocca.peak.expand
mocca.peak.integrate
mocca.peak.match
mocca.peak.models
mocca.peak.process
mocca.peak.purity_funcs
mocca.peak.quantify
mocca.peak.resolve_impure
mocca.peak.utils
mocca.report
mocca.report.utils
mocca.user_interaction
mocca.user_interaction.campaign
mocca.user_interaction.settings
mocca.user_interaction.suggest_calibration
mocca.user_interaction.user_objects
mocca.visualization
mocca.visualization.basic_plots
mocca.visualization.calibration_plots
mocca.visualization.parafac_plots
mocca.visualization.results_plot
mocca.visualization.utils
N
n_comps (mocca.decomposition.model.ParafacModel attribute)
normalize_peak_data() (in module mocca.decomposition.data_tensor)
O
offset (mocca.components.models.QualiComponent attribute)
(mocca.peak.models.BasePeak attribute)
(mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
original_data (mocca.dad_data.models.GradientData attribute)
P
parafac() (in module mocca.decomposition.parafac_funcs)
parafac_comp_tensor (mocca.dad_data.models.ParafacData attribute)
ParafacData (class in mocca.dad_data.models)
ParafacModel (class in mocca.decomposition.model)
path (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.user_objects.Gradient attribute)
(mocca.user_interaction.user_objects.HplcInput attribute)
pca_explained_variance (mocca.decomposition.model.ParafacModel attribute)
PeakDatabase (class in mocca.peak.database)
peaks (mocca.decomposition.model.ParafacModel attribute)
peaks_high_pass (mocca.user_interaction.settings.Settings attribute)
peaks_low_pass (mocca.user_interaction.settings.Settings attribute)
pick_peaks() (in module mocca.dad_data.process_funcs)
PickedPeak (class in mocca.peak.models)
plot_1D_data() (in module mocca.visualization.basic_plots)
plot_1D_layer() (in module mocca.visualization.basic_plots)
plot_1D_scatter() (in module mocca.visualization.basic_plots)
plot_1D_scatter_layer() (in module mocca.visualization.basic_plots)
plot_aligned_tensor() (in module mocca.visualization.parafac_plots)
plot_calibration_curves() (in module mocca.visualization.calibration_plots)
plot_chrom_with_peaks() (in module mocca.visualization.results_plot)
plot_impure_peak_spectra() (in module mocca.visualization.parafac_plots)
plot_normalized_integrals() (in module mocca.visualization.parafac_plots)
plot_objective_func() (in module mocca.visualization.parafac_plots)
plot_retention() (in module mocca.visualization.parafac_plots)
plot_uvvis_specs() (in module mocca.visualization.parafac_plots)
predict_purity_unimodal() (in module mocca.peak.purity_funcs)
preprocess_chromatogram() (in module mocca.chromatogram.preprocessor)
preprocess_df() (in module mocca.dad_data.apis.allotrope)
preprocess_experiment() (in module mocca.campaign.process_funcs)
PreprocessedPeak (class in mocca.peak.models)
print_parafac_analytics() (in module mocca.decomposition.parafac_funcs)
process_all_hplc_input() (mocca.user_interaction.campaign.HplcDadCampaign method)
process_compound_exp() (in module mocca.campaign.process_funcs)
process_compound_experiments() (in module mocca.campaign.process_funcs)
process_experiments() (in module mocca.campaign.process_funcs)
process_gradients() (in module mocca.campaign.process_funcs)
process_new_hplc_input() (mocca.user_interaction.campaign.HplcDadCampaign method)
process_peak() (in module mocca.peak.process)
processed (mocca.user_interaction.user_objects.HplcInput attribute)
ProcessedPeak (class in mocca.peak.models)
pure (mocca.peak.models.CheckedPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
Q
QualiComponent (class in mocca.components.models)
QualiComponentDatabase (class in mocca.components.databases)
QuantComponent (class in mocca.components.models)
QuantComponentDatabase (class in mocca.components.databases)
quantify_peak() (in module mocca.peak.quantify)
quantify_peaks() (in module mocca.chromatogram.quantify)
R
read_adf() (in module mocca.dad_data.apis.allotrope)
read_adf_datacube() (in module mocca.dad_data.apis.allotrope)
read_adf_description() (in module mocca.dad_data.apis.allotrope)
read_angi() (in module mocca.dad_data.apis.angi)
read_arw_empower() (in module mocca.dad_data.apis.empower)
read_chemstation() (in module mocca.dad_data.apis.chemstation)
read_csv_agilent() (in module mocca.dad_data.apis.chemstation)
read_csv_angi() (in module mocca.dad_data.apis.angi)
read_custom_data() (in module mocca.dad_data.apis.custom)
read_empower() (in module mocca.dad_data.apis.empower)
read_labsolutions() (in module mocca.dad_data.apis.labsolutions)
read_txt_shimadzu() (in module mocca.dad_data.apis.labsolutions)
reassign_impurities() (in module mocca.chromatogram.assign)
relative_distance_thresh (mocca.user_interaction.settings.Settings attribute)
relevant_comp (mocca.decomposition.model.DataTensor attribute)
right (mocca.components.models.QualiComponent attribute)
(mocca.peak.models.BasePeak attribute)
(mocca.peak.models.IstdPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
round_to_n() (in module mocca.visualization.utils)
S
saturation (mocca.peak.models.CheckedPeak attribute)
(mocca.peak.models.ProcessedPeak attribute)
save_campaign() (mocca.user_interaction.campaign.HplcDadCampaign method)
Settings (class in mocca.user_interaction.settings)
settings_to_df() (in module mocca.report.utils)
shift (mocca.dad_data.models.ParafacData attribute)
sort_peaks_by_best_match() (in module mocca.chromatogram.assign)
sort_peaks_by_compound() (in module mocca.components.utils)
spectrum (mocca.components.models.QualiComponent attribute)
spectrum_correl_thresh (mocca.user_interaction.settings.Settings attribute)
spectrum_max (mocca.components.models.QualiComponent attribute)
suggest_initialization_runs() (in module mocca.user_interaction.suggest_calibration)
sum_absorbance_by_time() (in module mocca.dad_data.utils)
T
tensor (mocca.decomposition.model.DataTensor attribute)
tidy_df_agilent() (in module mocca.dad_data.apis.angi)
(in module mocca.dad_data.apis.chemstation)
time (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.user_objects.CustomData attribute)
trim_data() (in module mocca.dad_data.utils)
U
update() (mocca.components.databases.QualiComponentDatabase method)
(mocca.components.databases.QuantComponentDatabase method)
update_matches() (in module mocca.peak.match)
update_peaks_and_matches() (in module mocca.chromatogram.assign)
update_unknown_counter() (mocca.peak.database.PeakDatabase method)
W
warnings (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
wavelength (mocca.dad_data.models.CompoundData attribute)
(mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.user_objects.CustomData attribute)
weights (mocca.decomposition.model.ParafacModel attribute)
wl_high_pass (mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.settings.Settings attribute)
wl_low_pass (mocca.dad_data.models.DadData attribute)
(mocca.user_interaction.settings.Settings attribute)
Y
y_offset (mocca.dad_data.models.ParafacData attribute)
(mocca.decomposition.model.DataTensor attribute)
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