ssddata 2.0.0 (2026-08-03)

Bug fixes

• anztox_data no longer carries rows with a missing chemicalname_grouped (GitHub #62). CAS 7782492 (selenium) was absent from the anztox CAS lookup, so ssd_data_sets() emitted sets named anztox_NA_Freshwater and anztox_NA_Marine; they are now anztox_Selenium_*. The build fails if any chemical reaches the output without a name. Rebuilding also required repairing three latent errors in data-raw/anztox/DATASET.R that had blocked the build since the 2026-05-27 column-name refactor (a =>/= join typo, an outer mediatype leaking into the nested tibbles, and openxlsx dotting the DGV column names); none change the rebuilt object beyond the selenium naming.

• Harmonised the Medium vocabulary across sources (GitHub #52). aims_data, csiro_data and anzg_data used lower-case tokens, with csiro using fresh where others used a form of freshwater, so subset(x, Medium == "Freshwater") silently returned nothing for those sources and ssd_data_sets(split = "Medium") emitted both _marine and _Marine. All sources now use Freshwater, Marine, Unknown and the ANZG hardness variants Soft freshwater, Moderate freshwater, Hard freshwater, which remain separate datasets and are never collapsed. Dataset names are unchanged.

• wqbench_data no longer ships 20 records with Conc == 0 (GitHub #49), which map to -Inf on the log scale an SSD is fitted on. They are literal zeros in ECOTOX rather than below-detection sentinels, and are now dropped at build time before the sufficiency gates, so a chemical cannot qualify on the strength of unfittable records. 36,629 rows to 36,606; CAS 160759295 leaves the dataset, having had only 6 species of which 3 were zero-concentration.

• Corrected the ssd_fits documentation, which described Estimate, SE, Lower and Upper as being in ug/L and Units as always ug/L (GitHub #53). Each fit is recorded on the scale of the dataset it was fitted to, so Units is one of ug/L, mg/L or ng/L, and NA for the unitless anon_* datasets. The 11th column was also documented as Source when it is named Reference.

• ssd_data_sets(set = "anztox") no longer returns two elements with the same name (GitHub #50). Two CAS can share one grouped chemical name — Aroclor 1254 and Aroclor 1242 are both “Polychlorinated biphenyls” — which made one element unreachable, since [[name]] returns the first match. Colliding names are now suffixed with their CAS; all other element names are unchanged.

• get_ssddata() now errors for an unknown dataset_name instead of warning and returning NULL (GitHub #54), and ssd_data_sets(set = NA) reports a missing value rather than failing with “missing value where TRUE/FALSE needed”.

• Added the missing species names to csiro_chlorine_marine, which shipped all 30 of its rows with a blank Species. The names were reconstructed from Batley & Simpson (2020). The dataset now also carries Duration, Life_stage, Notes, Test_endpoint and Toxicity_measure, taking it from 3 columns to 9.

• Corrected concentration units for four ANZG freshwater datasets that were stored in mg/L but documented and treated as ug/L, so their get_ssddata() values disagreed with the gazetted ssd_fits estimates by ~1000x (GitHub #47): anzg_boron_fresh, anzg_nitrate_soft_fresh, anzg_nitrate_moderate_fresh and anzg_nitrate_hard_fresh are now in ug/L.

• Corrected the ssd_fits estimates for anzg_dioxins_fresh, which were stored in ng/L rather than ug/L (GitHub #47).

• Added a Units column to ssd_fits recording each fit’s concentration units (per-dataset: ccme datasets are mg/L / ug/L / ng/L; anzg/aims/csiro are ug/L; anon not recorded), and to the ANZG, aims and csiro raw datasets. Added a test asserting that no gazetted hazard concentration exceeds the raw data maximum for any dataset (test-units-consistency.R).

New datasets

ANZG datasets

• Added 30 new ANZG individual chemical datasets: anzg_alpha_cypermethrin_fresh, anzg_aluminium_marine, anzg_ametryn_fresh, anzg_ammonia_fresh, anzg_bisphenol_a_fresh, anzg_bisphenol_a_marine, anzg_boron_fresh, anzg_chlorine_marine, anzg_chromium_III_fresh, anzg_copper_marine, anzg_dioxins_fresh, anzg_diuron_fresh, anzg_diuron_marine, anzg_fipronil_fresh, anzg_fluoride_fresh, anzg_glyphosate_fresh, anzg_iron_fresh, anzg_iron_marine, anzg_mancozeb_fresh, anzg_manganese_marine, anzg_mcpa_fresh, anzg_metolachlor_fresh, anzg_metsulfuron_methyl_fresh, anzg_nickel_marine, anzg_nitrate_hard_fresh, anzg_nitrate_moderate_fresh, anzg_nitrate_soft_fresh, anzg_paraquat_fresh, anzg_perfluorooctane_sulfonate_pfos_fresh, anzg_picloram_fresh, anzg_simazine_fresh, anzg_simazine_marine, anzg_sulfometuron_methyl_fresh, anzg_zinc_marine.
• Added anzg_data aggregate dataset.

EnviroTox datasets

• Added envirotox_data (list), envirotox_acute, envirotox_chronic, and envirotox_chemical datasets from the EnviroTox database.

ANZTox datasets

• Added anztox_data aggregated dataset derived from the ANZTox database, with accompanying Quarto vignette documenting data processing steps.

WQBench datasets

• Added wqbench_data aggregated dataset from Australian water quality benchmarking work.

New and improved functions

• ssd_data_sets() gains a set argument supporting "v1", "v2" (default), prefix vectors (e.g. c("aims", "ccme")), "wqbench", "envirotox_acute", "envirotox_chronic", "anztox", and "alldata" to flexibly retrieve per-chemical tibbles from any data source.
• ssd_data_sets() gains a split argument to further split datasets by arbitrary columns.
• ssd_data_sets() gains a summarize argument ("geomean" or "none") controlling duplicate species handling.
• ssd_data_sets() gains a cas_lookup argument for CAS number alignment across sources.
• Column names standardised across all datasets returned by ssd_data_sets(): Species (first) and Conc (second) are guaranteed.
• Added list_datasets() as a deprecated wrapper for backwards compatibility with EnviroTox workflows.

Other changes

• Updated ssd_fits dataset to align distribution naming with ssdtools and distinguish shinyssdtools results.
• Auto-generated _pkgdown.yml via data-raw/build_pkgdown_yml.R with structured reference sections.
• Added Ayla Pearson as package author.
• Documentation improvements throughout, including Rdpack bibliography references for new datasets.
• Naming convention standardised (e.g. freshwater → fresh, marine suffix).

ssddata 1.0.0 (2021-09-13)

• Release to CRAN.
• Added ssd_fits dataset of fitted SSD results.
• CRAN packaging fixes: license, URLs, return value descriptions.

ssddata 0.0.0.9001 (2021-08-31)

• Added datasets.

ssddata 0.0.0.9001 (2021-08-27)

• Initialised package.