PFAS Load-Space Reconnaissance, Trinity River Headwater Network: Reproducibility Archive

Reproducibility archive supporting “Tiered uncertainty analysis distinguishes PFAS screening priorities from uncertain load changes near a military installation” by Gehendra Kharel, Md Simoon Nice, Portia T. Asare, Michael C. Slattery, and Omar R. Harvey. This is a data and code deposit. The manuscript, Supplementary Information document, and editorial correspondence are submitted separately to the journal and are not included here. Study scope. The study analyzes 40 PFAS in 35 site-campaign observations from three Trinity River headwater surveys in Fort Worth, Texas: 21 December 2025, 8 February 2026, and 31 May 2026. A tiered framework combines left-censored concentration modeling (T0), conditional transfer of reagent-water laboratory batch responses (T1), hypothetical discharge uncertainty (T2), and field and residual-matrix scenarios (T3). The analyses distinguish spatial concentration-screening priorities from temporal instantaneous-load conclusions that depend on additional measurement assumptions. Version 2.1.0. This additive release preserves the original reproducibility archive and primary results unchanged. It adds separately specified post-review analyte- and batch-effect diagnostics, an analyte-specific overall-recovery-intercept sensitivity, targeted censoring-model refits, distribution-free censoring bounds, and computational verification records. Revised Figure 5 outputs are supplied separately. These additions are not part of the original prespecification, and no new field sampling or laboratory experiments are included. Files in this release PFAS_LoadSpace_Zenodo.zip — Unchanged original archive containing laboratory reports, archived USGS discharge records, site/reach metadata, standardized observations, QC evidence, the frozen analysis engine, original specifications and amendments, primary execution outputs, figures, and provenance. PFAS_R1_Analysis_Addendum.zip — Additional sensitivity-analysis scripts, outputs, specifications, and verification records. This addendum requires the original archive and does not replace its primary analysis. PFAS_R1_Figure5.zip — Revised Figure 5 composite and individual-panel outputs. These replace the earlier figure display for the revised article, not the underlying primary results. README_R1.txt — Release overview, file relationships, reproduction guidance, and licensing scope. SHA256SUMS_R1.txt — Checksums for the original archive, analysis addendum, figure archive, and release README. Reproduction. Download both the original archive and the analysis addendum. Extract them into separate folders and follow their README instructions for the software environment, engine working copy, and execution commands. The addendum also contains the revised figure script and source summaries. Verification records assess computational reproducibility, not environmental interval coverage or the validity of transferring reagent-water responses to river matrices. Access and licensing. Files are restricted during peer review; reviewer access is supplied separately through the journal submission system. Author-controlled derived data are licensed under CC BY 4.0, and code is licensed under the MIT License. USGS source records are public-domain data. Eurofins laboratory reports retain their original permission conditions and are not relicensed under CC BY 4.0 or MIT. Public release is planned upon article publication, subject to the applicable third-party permissions.