Data Fits

Libraries for selecting and configuring the fitting procedure.

• Data Fits
  • DataFit
    • DataFit.get_fit_results()
    • DataFit.get_fitted_parameters()
    • DataFit.get_optimizer()
    • DataFit.initial_values_dict
    • DataFit.initial_values_list
    • DataFit.plot_fit_results()
    • DataFit.plot_trace()
    • DataFit.process_parameters()
    • DataFit.x_to_inputs()
  • ArrayDataFit
  • CostLogger
• Cost Functions
  • Cost
    • Cost.__call__()
    • Cost.nan_values()
    • Cost.objective_weights()
    • Cost.scalarize()
    • Cost.scale()
    • Cost.variable_weights()
  • Difference
    • Difference.scalarize()
  • RMSE
  • Wasserstein
• Objectives
  • Objective
  • Open-circuit potential objectives
    • OCPHalfCell
    • ElectrodeBalancingHalfCell
    • ElectrodeBalancing
    • get_U_half_cell()
  • Open-circuit potential objectives with MSMR model
    • MSMRHalfCell
      • MSMRHalfCell.initial_guess()
    • MSMRFullCell
    • plot_half_cell_ocp()
    • plot_full_cell_ocv()
    • get_theta_half_cell_msmr()
    • get_msmr_params_for_fit()
    • plot_each_species_msmr()
    • msmr_Qj_to_Xj()
    • msmr_Xj_to_Qj()
    • msmr_sort_params()
    • OpenCircuitHalfCellHysteresisCallback
      • OpenCircuitHalfCellHysteresisCallback.on_datafit_finish()
      • OpenCircuitHalfCellHysteresisCallback.on_objective_build()
      • OpenCircuitHalfCellHysteresisCallback.plot_fit_results()
  • Resistance objective
    • Resistance
    • HalfCellResistanceModel
    • FullCellResistanceModel
    • ContactResistanceModel
      • ContactResistanceModel.build()
    • ChargeTransferResistanceModel
      • ChargeTransferResistanceModel.build()
    • ElectrolyteOhmicResistanceModel
      • ElectrolyteOhmicResistanceModel.build()
    • SumResistanceModel
      • SumResistanceModel.build()
    • ResistanceModel
      • ResistanceModel.build()
      • ResistanceModel.solve()
      • ResistanceModel.solve_full()
  • Pulse objective
    • Pulse
      • Pulse.calculate_objective_variables()
    • voltage_objective_variables()
    • overpotentials_objective_variables()
    • resistances_objective_variables()
    • ici_features_objective_variables()
    • gitt_features_objective_variables()
    • get_pulse_objectives_by_cycle()
    • calculate_pulse_resistance()
  • Current-driven objective
    • CurrentDriven
  • EIS objective
    • EIS
  • Calendar ageing objective
    • CalendarAgeing
  • Cycle ageing objective
    • CycleAgeing
    • get_standard_summary_variables()
• Optimizers
  • Optimizer
    • Optimizer.cost
    • Optimizer.optimize()
    • Optimizer.set_bounds()
    • Optimizer.set_eq_constraints()
    • Optimizer.set_objective()
  • Dummy
    • Dummy.optimize()
  • GridSearch
    • GridSearch.optimize()
  • ScipyDifferentialEvolution
    • ScipyDifferentialEvolution.optimize()
  • ScipyLeastSquares
    • ScipyLeastSquares.optimize()
  • ScipyMinimize
    • ScipyMinimize.optimize()
  • ScipyShgo
    • ScipyShgo.optimize()
  • ScipyDualAnnealing
    • ScipyDualAnnealing.optimize()
  • PDFO
    • PDFO.optimize()
  • Pints
    • Pints.optimize()
  • Chain
    • Chain.cost
    • Chain.optimize()
• Parameter
  • Parameter
    • Parameter.create_copy()
    • Parameter.evaluate()
• Result
  • Result
• Callbacks
  • Callback
    • Callback.on_datafit_finish()
    • Callback.on_datafit_start()
    • Callback.on_objective_build()
    • Callback.on_run_iteration()
    • Callback.plot_fit_results()
  • SaveResultsCallback
    • SaveResultsCallback.all_results
    • SaveResultsCallback.on_datafit_finish()
    • SaveResultsCallback.on_datafit_start()
    • SaveResultsCallback.on_objective_build()
• Custom Parameters
  • initial_concentration_from_voltage()
  • initial_concentration_from_parameter_values()
  • temperature_interpolant()
  • initial_temperature()
• Data utilities
  • load_data_metadata()
  • write_data_metadata()
  • get_current_function_from_data()
  • get_current_steps_from_data()
  • get_time_in_seconds()
  • calculate_dUdQ_cutoff()
  • calculate_dQdU_cutoff()
  • calculate_differential_cutoff_explicit()
  • calculate_differential_cutoff_quantile()
  • calculate_differential_cutoff_peaks()
  • check_ocv_data_format()
  • negative_to_positive_half_cell()
  • calculate_stoichiometry_data_msmr()