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Example data

leachate_demo()
Synthetic leachate-impacted water-quality data (demo)

Leachate detection (LMF)

End-member mixing analysis to quantify the leachate-mixing fraction of a sample.

add_lmf()
Compute the Leachate Mixing Fraction (LMF) for water quality samples
to_meq()
Convert analyte concentrations to milliequivalents per litre

Chemistry imputation

Domain-agnostic Bayesian multivariate imputation of below-detection and missing analyte concentrations, plus deterministic co-analyte imputation.

fit_imputation_model()
Fit the Bayesian multivariate imputation model(s)
impute_group()
Declare an imputation group
leachate_impute_groups()
Leachate imputation-group preset
impute_chemistry()
Impute missing and BDL chemistry using a fitted imputation model
impute_coanalytes()
Impute missing normalisation co-analytes from the fitted chemistry PCA
bdl_cap_summary()
Inspect detection-limit cap activations from impute_chemistry()

Toxicity & single-substance PAF

Species sensitivity distributions and the potentially affected fraction for an individual analyte.

ssd_paf()
Estimate the fraction of species potentially affected at a concentration.
ssd_pct()
Quick point-estimate only (no CI, no bootstrapping).
ssd_hc50()
Return HC50 for use in Concentration Addition (msPAF).

Multi-substance PAF (msPAF)

Concentration- and response-addition mixture PAF with Added-Risk local background adjustment. Includes the static and temporal (contemporaneous) ARA reference paths.

mspaf_pipeline()
Run the full chronic msPAF pipeline end to end
add_mspaf()
Compute the Adjusted multi-substance PAF (msPAF) for water quality samples
mspaf_daily()
Continuous daily msPAF time series from interpolated grab chemistry
prepare_reference()
Prepare reference chemistry for msPAF background subtraction
fit_reference_model()
Fit a temporal reference model for contemporaneous ARA background subtraction
fit_target_model()
Fit a season-blind predictive model of the site impact
loo_anchor_coverage()
Leave-one-anchor-out coverage of the daily Kalman bands
ara_summary()
Retrieve per-cell ARA diagnostics from an add_mspaf() result
analyte_pafs()
Per-analyte PAF breakdown from add_mspaf()
summarise_draws()
Summarise a draw-carrier frame to posterior median and credible interval
draw_measurement_error()
Expand observed measurements into lognormal posterior-predictive draws

Water chemistry & normalisation

Bioavailability and physicochemical adjustments that bring measured concentrations to the SSD index condition.

correct_ammonia_ph_temp()
Correct total ammonia-N to the ANZG reference pH and temperature
derive_hardness()
Three-way reconciliation between Ca, Mg, and hardness
estimate_water_temp()
Estimate water temperature from air temperature measurements
get_silo_air_temp()
Fetch daily mean air temperature from SILO for an Australian location
get_silo_rainfall()
Fetch daily rainfall from SILO for an Australian location

Screening & temporal aggregation

Detection-frequency prescreening and chronic time-weighted averaging.

prescreen_analytes()
Pre-screen analytes by detection frequency
time_weighted_aggregate()
Time-weighted chronic aggregation for any long-format value column
expand_focal_dates()
Generate a sequence of focal dates for chronic msPAF computation