General utility functions

Functions that are independent of specific fate modelling areas

geomean()

Calculate the geometric mean

one_box()

Create a time series of decline data

plot(<one_box>)

Plot time series of decline data

sawtooth()

Create decline time series for multiple applications

twa()

Calculate a time weighted average concentration

max_twa()

The maximum time weighted average concentration for a moving window

pfm_degradation()

Calculate a time course of relative concentrations based on an mkinmod model

SFO_actual_twa()

Actual and maximum moving window time average concentrations for SFO kinetics

FOMC_actual_twa()

Actual and maximum moving window time average concentrations for FOMC kinetics

set_nd() set_nd_focus()

Set non-detects in residue series without replicates Sets non-detects directly before or directly after detects to NA. Values between lod and loq are set to their mean value if an loq is specified. If 'time_zero' is set to TRUE, the residue series is assumed to start with time zero, and non-detects at time zero are set to 'time_zero_nd_value'. For the set_nd_focus variant, this is zero, otherwise this argument has NA as default value. If stopping after the first non-detection is requested, as in in the FOCUS variant of the function, an loq has to be specified in order to decide if any later detections are above the loq.

Predicted environmental concentrations in soil

PEC_soil()

Calculate predicted environmental concentrations in soil

PEC_soil_mets()

Calculate initial and accumulation PEC soil for a set of metabolites

soil_scenario_data_EFSA_2015

Properties of the predefined scenarios from the EFSA guidance from 2015

soil_scenario_data_EFSA_2017

Properties of the predefined scenarios from the EFSA guidance from 2017

PEC_FOMC_accu_rel()

Get the relative accumulation of an FOMC model over multiples of an interval

EFSA_washoff_2017

Subset of EFSA crop washoff default values

Predicted environmental concentrations in groundwater

FOCUS_GW_scenarios_2012

A very small subset of the FOCUS Groundwater scenario definitions

EFSA_GW_interception_2014

Subset of EFSA crop interception default values for groundwater modelling

Predicted environmental concentrations in surface water

PEC_sw_drift()

Calculate predicted environmental concentrations in surface water due to drift

drift_data_JKI

Deposition from spray drift expressed as percent of the applied dose as published by the JKI

PEC_sw_drainage_UK()

Calculate initial predicted environmental concentrations in surface water due to drainage using the UK method

PEC_sw_sed()

Calculate predicted environmental concentrations in sediment from surface water concentrations

PEC_sw_focus()

Calculate PEC surface water at FOCUS Step 1

chent_focus_sw()

Create a chemical compound object for FOCUS Step 1 calculations

FOCUS_Step_12_scenarios

Step 1/2 scenario data as distributed with the FOCUS Step 1/2 calculator

PEC_sw_exposit_drainage()

Calculate PEC surface water due to drainage as in Exposit 3

PEC_sw_exposit_runoff()

Calculate PEC surface water due to runoff and erosion as in Exposit 3

perc_runoff_exposit

Runoff loss percentages as used in Exposit 3

perc_runoff_reduction_exposit

Runoff reduction percentages as used in Exposit

TOXSWA_cwa

R6 class for holding TOXSWA water concentration data and associated statistics

read.TOXSWA_cwa()

Read TOXSWA surface water concentrations

plot(<TOXSWA_cwa>)

Plot TOXSWA surface water concentrations

Classifications and indicators

Evaluating environmental fate properties

SSLRC_mobility_classification()

Determine the SSLRC mobility classification for a chemical substance from its Koc

GUS() print(<GUS_result>)

Groundwater ubiquity score based on Gustafson (1989)

Utilities

get_vertex()

Fit a parabola through three points