Index

A

adjust_value_to_interval() (in module pychemelt.utils.processing) aic_bic_eff() (in module pychemelt.utils.math) align_basis_spectra_and_coefficients() (in module pychemelt.utils.svd) angle_from_cathets() (in module pychemelt.utils.svd)

apply_pca() (in module pychemelt.utils.svd) apply_svd() (in module pychemelt.utils.svd) are_all_strings_numeric() (in module pychemelt.utils.processing) AxisConfig (class in pychemelt.utils.plotting)

C

calculate_confidence_intervals() (pychemelt.monomer.Monomer method) ci_dict_to_summary_df() (in module pychemelt.utils.processing) clean_conditions_labels() (in module pychemelt.utils.processing) color_bar_length (pychemelt.utils.plotting.LegendConfig attribute) color_bar_orientation (pychemelt.utils.plotting.LegendConfig attribute) color_bar_x_pos (pychemelt.utils.plotting.LegendConfig attribute) color_bar_y_pos (pychemelt.utils.plotting.LegendConfig attribute) combine_sequences() (in module pychemelt.utils.processing) compare_models() (pychemelt.monomer.Monomer method)

conditions (pychemelt.main.Sample attribute) config_fig() (in module pychemelt.utils.plotting) constant_baseline() (in module pychemelt.utils.math) constant_baseline_only_temp() (in module pychemelt.utils.math) create_dg_df() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) create_fit_report() (pychemelt.monomer.Monomer method) create_params_df() (pychemelt.main.Sample method) create_params_df_three_state() (pychemelt.thermal_oligomer.ThermalOligomer method)

D

detect_encoding() (in module pychemelt.utils.files)

detect_file_type() (in module pychemelt.utils.files)

E

eq_constant_termochem() (in module pychemelt.utils.rates) eq_constant_thermo() (in module pychemelt.utils.rates) estimate_baseline_parameters() (pychemelt.main.Sample method) (pychemelt.thermal_oligomer.ThermalOligomer method) estimate_derivative() (pychemelt.main.Sample method) estimate_signal_baseline_params() (in module pychemelt.utils.processing)

expand_multiple_signal() (pychemelt.main.Sample method) expand_temperature_list() (in module pychemelt.utils.processing) explained_variance_from_orthogonal_vectors() (in module pychemelt.utils.svd) exponential_baseline() (in module pychemelt.utils.math) exponential_baseline_only_temp() (in module pychemelt.utils.math) extended_bic() (in module pychemelt.utils.math)

F

fi_three_state_dimer_dimeric_intermediate() (in module pychemelt.utils.fractions) fi_three_state_dimer_monomeric_intermediate() (in module pychemelt.utils.fractions) fi_three_state_tetramer_monomeric_intermediate() (in module pychemelt.utils.fractions) fi_three_state_trimer_monomeric_intermediate() (in module pychemelt.utils.fractions) fi_three_state_trimer_trimeric_intermediate() (in module pychemelt.utils.fractions) filter_basis_spectra() (in module pychemelt.utils.svd) find_baseline_params() (in module pychemelt.utils.processing) find_line_outliers() (in module pychemelt.utils.math) first_derivative_savgol() (in module pychemelt.utils.math) fit_exponential_robust() (in module pychemelt.utils.fitting) fit_line_robust() (in module pychemelt.utils.fitting) fit_local_thermal_unfolding_to_signal_lst() (in module pychemelt.utils.processing) fit_oligomer_unfolding_many_signals() (in module pychemelt.utils.fitting) fit_oligomer_unfolding_shared_slopes_many_signals() (in module pychemelt.utils.fitting) fit_oligomer_unfolding_single_slopes() (in module pychemelt.utils.fitting) fit_oligomer_unfolding_three_states_shared_slopes_many_signals() (in module pychemelt.utils.fitting) fit_oligomer_unfolding_three_states_single_slopes() (in module pychemelt.utils.fitting) fit_quadratic_robust() (in module pychemelt.utils.fitting) fit_tc_unfolding_many_signals() (in module pychemelt.utils.fitting)

fit_tc_unfolding_shared_slopes_many_signals() (in module pychemelt.utils.fitting) fit_tc_unfolding_single_slopes() (in module pychemelt.utils.fitting) fit_thermal_unfolding() (in module pychemelt.utils.fitting) fit_thermal_unfolding_global() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) fit_thermal_unfolding_global_global() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) fit_thermal_unfolding_global_global_global() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) fit_thermal_unfolding_local() (pychemelt.monomer.Monomer method) fit_thermal_unfolding_three_state_global() (pychemelt.thermal_oligomer.ThermalOligomer method) fit_thermal_unfolding_three_state_global_global() (pychemelt.thermal_oligomer.ThermalOligomer method) fit_thermal_unfolding_three_state_global_global_global() (pychemelt.thermal_oligomer.ThermalOligomer method) fn_two_state_monomer() (in module pychemelt.utils.fractions) font_size (pychemelt.utils.plotting.PlotConfig attribute) fu_three_state_dimer_dimeric_intermediate() (in module pychemelt.utils.fractions) fu_three_state_trimer_trimeric_intermediate() (in module pychemelt.utils.fractions) fu_two_state_dimer() (in module pychemelt.utils.fractions) fu_two_state_tetramer() (in module pychemelt.utils.fractions) fu_two_state_trimer() (in module pychemelt.utils.fractions)

G

get_2d_counterclockwise_rot_matrix() (in module pychemelt.utils.svd) get_3d_clockwise_rot_matrix_around_y_axis() (in module pychemelt.utils.svd) get_3d_counterclockwise_rot_matrix_around_z_axis() (in module pychemelt.utils.svd) get_colors_from_numeric_values() (in module pychemelt.utils.processing) get_rss() (in module pychemelt.utils.math) global_fit_done (pychemelt.main.Sample attribute) global_global_fit_done (pychemelt.main.Sample attribute)

global_global_global_fit_done (pychemelt.main.Sample attribute) gridwidth (pychemelt.utils.plotting.AxisConfig attribute) guess_Cp() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) guess_initial_parameters() (pychemelt.monomer.Monomer method) guess_Tm() (pychemelt.main.Sample method) guess_Tm_from_derivative() (in module pychemelt.utils.processing)

H

height (pychemelt.utils.plotting.PlotConfig attribute)

I

is_evenly_spaced() (in module pychemelt.utils.math)

is_float() (in module pychemelt.utils.processing)

L

labels (pychemelt.main.Sample attribute) LayoutConfig (class in pychemelt.utils.plotting) leave_one_out_cross_validation() (pychemelt.monomer.Monomer method) LegendConfig (class in pychemelt.utils.plotting) line_width (pychemelt.utils.plotting.PlotConfig attribute) linear_baseline() (in module pychemelt.utils.math) linear_baseline_only_temp() (in module pychemelt.utils.math) linewidth (pychemelt.utils.plotting.AxisConfig attribute)

load_aunty_xlsx() (in module pychemelt.utils.files) load_csv_file() (in module pychemelt.utils.files) load_mx3005p_txt() (in module pychemelt.utils.files) load_nanoDSF_xlsx() (in module pychemelt.utils.files) load_panta_xlsx() (in module pychemelt.utils.files) load_quantstudio_txt() (in module pychemelt.utils.files) load_thermofluor_xlsx() (in module pychemelt.utils.files) load_uncle_multi_channel() (in module pychemelt.utils.files)

M

map_three_state_model_to_signal_fx() (in module pychemelt.utils.signals) map_two_state_model_to_signal_fx() (in module pychemelt.utils.signals) marker_size (pychemelt.utils.plotting.PlotConfig attribute) module pychemelt pychemelt.main pychemelt.monomer pychemelt.thermal_oligomer pychemelt.utils pychemelt.utils.constants pychemelt.utils.files pychemelt.utils.fitting pychemelt.utils.fractions pychemelt.utils.math pychemelt.utils.palette pychemelt.utils.plotting pychemelt.utils.processing pychemelt.utils.rates pychemelt.utils.signals pychemelt.utils.svd

Monomer (class in pychemelt.monomer)

N

n_y_axis_ticks (pychemelt.utils.plotting.AxisConfig attribute)

nr_signals (pychemelt.main.Sample attribute)

O

oligomer_number() (in module pychemelt.utils.processing)

P

parse_number() (in module pychemelt.utils.processing) plot_baselines() (in module pychemelt.utils.plotting) plot_residuals() (in module pychemelt.utils.plotting) plot_unfolding() (in module pychemelt.utils.plotting) PlotConfig (class in pychemelt.utils.plotting) predict_baselines() (pychemelt.monomer.Monomer method) pychemelt module pychemelt.main module pychemelt.monomer module pychemelt.thermal_oligomer module pychemelt.utils module pychemelt.utils.constants module pychemelt.utils.files module

pychemelt.utils.fitting module pychemelt.utils.fractions module pychemelt.utils.math module pychemelt.utils.palette module pychemelt.utils.plotting module pychemelt.utils.processing module pychemelt.utils.rates module pychemelt.utils.signals module pychemelt.utils.svd module

Q

quadratic_baseline() (in module pychemelt.utils.math)

quadratic_baseline_only_temp() (in module pychemelt.utils.math)

R

re_arrange_loo_initial_params() (in module pychemelt.utils.processing) re_arrange_params() (in module pychemelt.utils.processing) re_arrange_predictions() (in module pychemelt.utils.processing) read_file() (pychemelt.main.Sample method) read_jasco_thermal_ramp() (in module pychemelt.utils.files) read_multiple_files() (pychemelt.main.Sample method)

recalc_explained_variance() (in module pychemelt.utils.svd) reconstruct_spectra() (in module pychemelt.utils.svd) relative_errors() (in module pychemelt.utils.math) reset_fittings_results() (pychemelt.main.Sample method) rotate_three_basis_spectra() (in module pychemelt.utils.svd) rotate_two_basis_spectra() (in module pychemelt.utils.svd)

S

Sample (class in pychemelt.main) select_conditions() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) set_concentrations() (pychemelt.thermal_oligomer.ThermalOligomer method) set_denaturant_concentrations() (pychemelt.monomer.Monomer method) set_model() (pychemelt.thermal_oligomer.ThermalOligomer method) set_param_bounds() (in module pychemelt.utils.processing) set_signal() (pychemelt.main.Sample method) set_signal_id() (pychemelt.main.Sample method) set_temperature_range() (pychemelt.main.Sample method) set_thermodynamic_params_guess() (pychemelt.monomer.Monomer method) set_units() (pychemelt.main.Sample method) shift_temperature() (in module pychemelt.utils.math)

show_subplot_titles (pychemelt.utils.plotting.LayoutConfig attribute) showgrid_x (pychemelt.utils.plotting.AxisConfig attribute) showgrid_y (pychemelt.utils.plotting.AxisConfig attribute) signal_dic (pychemelt.main.Sample attribute) signal_to_df() (pychemelt.monomer.Monomer method) (pychemelt.thermal_oligomer.ThermalOligomer method) signal_two_state_t_unfolding() (in module pychemelt.utils.signals) signal_two_state_tc_unfolding() (in module pychemelt.utils.signals) signals (pychemelt.main.Sample attribute) single_fit_done (pychemelt.main.Sample attribute) solve_one_root_depressed_cubic() (in module pychemelt.utils.math) solve_one_root_quadratic() (in module pychemelt.utils.math) subset_data() (in module pychemelt.utils.processing) subset_signal_by_temperature() (in module pychemelt.utils.processing)

T

temp_dic (pychemelt.main.Sample attribute) temperature_to_celsius() (in module pychemelt.utils.math) temperature_to_kelvin() (in module pychemelt.utils.math) ThermalOligomer (class in pychemelt.thermal_oligomer) ticklen (pychemelt.utils.plotting.AxisConfig attribute) tickwidth (pychemelt.utils.plotting.AxisConfig attribute)

transform_to_list() (in module pychemelt.utils.processing) two_state_thermal_unfold_curve() (in module pychemelt.utils.signals) two_state_thermal_unfold_curve_dimer() (in module pychemelt.utils.signals) two_state_thermal_unfold_curve_tetramer() (in module pychemelt.utils.signals) two_state_thermal_unfold_curve_trimer() (in module pychemelt.utils.signals) type (pychemelt.utils.plotting.PlotConfig attribute)

U

unfolding_curve_dimer_dimeric_intermediate() (in module pychemelt.utils.signals) unfolding_curve_dimer_monomeric_intermediate() (in module pychemelt.utils.signals) unfolding_curve_monomer_monomeric_intermediate() (in module pychemelt.utils.signals)

unfolding_curve_tetramer_monomeric_intermediate() (in module pychemelt.utils.signals) unfolding_curve_trimer_monomeric_intermediate() (in module pychemelt.utils.signals) unfolding_curve_trimer_trimeric_intermediate() (in module pychemelt.utils.signals)

V

vertical_spacing (pychemelt.utils.plotting.LayoutConfig attribute)

W

width (pychemelt.utils.plotting.PlotConfig attribute)