pyglotaran: a Python library for global and target analysis

pyglotaran 0.4.0 Release Notes ✨ Features Add basic spectral model (#672) Add Channel/Wavelength dependent shift parameter to irf. (#673) Refactored Problem class into GroupedProblem and UngroupedProblem (#681) Plugin system was rewritten (#600, #665) Deprecation framework (#631) Better notebook integration (#689) Bug fixes Fix excessive memory usage in _create_svd (#576) Fix several issues with KineticImage model (#612) Fix exception in sdt reader index calculation (#647) Avoid crash in result markdown printing when optimization fails (#630) ParameterNotFoundException doesn't prepend '.' if path is empty (#688) Ensure Parameter.label is str or None (#678) Properly scale StdError of estimated parameters with RMSE (#704) More robust covariance_matrix calculation (#706) ParameterGroup.markdown() independent parametergroups of order (#592) ️ Deprecations glotaran.ParameterGroup -> glotaran.parameterParameterGroup glotaran.read_model_from_yaml -> glotaran.io.load_model(..., format_name="yaml_str") glotaran.read_model_from_yaml_file -> glotaran.io.load_model(..., format_name="yaml") glotaran.read_parameters_from_csv_file -> glotaran.io.load_parameters(..., format_name="csv") glotaran.read_parameters_from_yaml -> glotaran.io.load_parameters(..., format_name="yaml_str") glotaran.read_parameters_from_yaml_file -> glotaran.io.load_parameters(..., format_name="yaml") glotaran.io.read_data_file -> glotaran.io.load_dataset result.save -> glotaran.io.save_result(result, ..., format_name="legacy") result.get_dataset("") -> result.data[""] glotaran.analysis.result -> glotaran.project.result glotaran.analysis.scheme -> glotaran.project.scheme model.simulate -> glotaran.analysis.simulation.simulate(model, ...) Plugins ProjectIo 'folder'/'legacy' plugin to save results (#620) Model 'spectral-model' (#672) Documentation User documentation is written in notebooks (#568) Documentation on how to write a DataIo plugin (#600