Calculation functions

These functions provide tools to easily calculate ratios, scale time and convert signal units.

iso_calculate_ratios()

Calculate ratios

iso_convert_signals()

Convert signal units in continuous flow and dual inlet files

iso_convert_time()

Convert time units in continuous flow files

Peak mapping

Functions to easily map data table peaks by retention time.

iso_map_peaks()

Map peaks based on retention time

iso_get_problematic_peak_mappings()

Fetch problematic peak mappings

iso_remove_problematic_peak_mappings()

Remove problematic peak mappings

Calibration

Functions to calibrate data.

iso_add_standards()

Add calibration standards

iso_prepare_for_calibration()

Prepare data set for calibration

iso_generate_calibration()

Generate data calibration

iso_apply_calibration()

Apply calibration

iso_evaluate_calibration_range()

Evaluate calibration range

iso_get_problematic_calibrations()

Fetch problematic calibrations

iso_remove_problematic_calibrations()

Remove problematic calibrations

Unpacking calibration models

Generic base functions, can be adapted for non-standard applications.

iso_unnest_data()

Unnest data

iso_unnest_calibration_coefs()

Unnest calibration coefficients

iso_unnest_calibration_summary()

Unnest calibration summary

iso_unnest_calibration_range()

Unnest calibration range

iso_unnest_calibration_parameters()

Unnest calibration parameters

Visualization

Visualization functions.

iso_plot_continuous_flow_data()

Plot chromatogram from continuous flow data

iso_plot_dual_inlet_data()

Plot mass data from dual inlet files

iso_plot_calibration_parameters()

Visualize calibration parameters

iso_plot_data()

Visualize the data

iso_mark_calibration_range()

Visualize the calibration range

Reporting & Export

Reporting and export functions.

iso_summarize_data_table()

Summarize a data table

iso_remove_list_columns()

Remove nested data

iso_export_calibration_to_excel()

Export calibration to Excel

Package settings

iso_set_default_processor_parameters() iso_reset_default_processor_parameters()

Set default parameters Define the default parameters for calculations used in this package.

iso_show_default_processor_parameters()

Show the current default processor parameters

iso_get_default_processor_parameters()

Get the current default processor parameters

Under the hood

Generic base functions, can be adapted for non-standard applications.

run_regression()

run a set of regressions

apply_regression()

invert a regression for calibration purposes

unnest_select_data()

unnest parts of a data frame without loosing the rest

unnest_model_column()

Unnest model results column