Handling left-censored PFAS data in surface-water reconnaissance: A reproducible workflow applied to ten sites in the Trinity River headwaters, Texas

Analyzing surface-water PFAS datasets using EPA Method 1633 often yields many results below reporting limits and fewer qualified low-level detections, making post-processing choices important for site comparisons. In this pilot study, we used a single synoptic survey of 10 sites in Trinity River headwater tributaries near Fort Worth, Texas, to demonstrate a transparent workflow for summarizing such data. Samples were collected on 21 December 2025 and analyzed for 40 target PFAS using isotope-dilution LC-MS/MS at a commercial laboratory accredited to ISO/IEC 17025. Of the 400 site-analyte results, 82 (20.5%) were detected, and 318 (79.5%) were left-censored. We distinguished detect-only ΣPFAS40, defined as the sum of quantified detections, with non-detects set to zero, from median-imputed ΣPFAS40, a model-based total generated using 5,000 censoring-aware imputations per site. Median imputed ΣPFAS40 ranged from 55.5 to 685.2 ng/L. One high-total site (TW08; 95% conditional imputation-uncertainty interval: 673.2–696.8 ng/L) clearly exceeded the other nine sites. Imputation increased ΣPFAS40 by 32–38 ng/L at lower-total sites relative to detect-only sums, demonstrating that non-detect handling materially affects low-end site comparison. Site rankings were stable across distributional assumptions, substitution methods, and qualifier reclassification. River-network distance, catchment land-cover metrics, and multi-year national pollutant discharge records were retained only as screening-level context. Overall, this pilot case study shows that the main value of the dataset lies in a reproducible, qualifier-transparent, and censoring-aware workflow for PFAS reconnaissance, rather than in any definitive assessment of temporal conditions or causal source attribution.

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Publication Details

Journal
PLOS Water
Published
2026-06-26
DOI
https://doi.org/10.1371/journal.pwat.0000554
Primary Topic
Per- and polyfluoroalkyl substances research
Type
article
Field-Weighted Citation Impact
0.00

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article

Handling left-censored PFAS data in surface-water reconnaissance: A reproducible workflow applied to ten sites in the Trinity River headwaters, Texas

Md. Simoon Nice, Gehendra Kharel, Omar R. Harvey, Brendan L. Lavy et al.
PLOS Water
Per- and polyfluoroalkyl substances research
article

Handling left-censored PFAS data in surface-water reconnaissance: A reproducible workflow applied to ten sites in the Trinity River headwaters, Texas

Md. Simoon Nice, Gehendra Kharel, Omar R. Harvey, Brendan L. Lavy, Michele Birmingham, Portia T. Asare
article en

Abstract

Analyzing surface-water PFAS datasets using EPA Method 1633 often yields many results below reporting limits and fewer qualified low-level detections, making post-processing choices important for site comparisons. In this pilot study, we used a single synoptic survey of 10 sites in Trinity River headwater tributaries near Fort Worth, Texas, to demonstrate a transparent workflow for summarizing such data. Samples were collected on 21 December 2025 and analyzed for 40 target PFAS using isotope-dilution LC-MS/MS at a commercial laboratory accredited to ISO/IEC 17025. Of the 400 site-analyte results, 82 (20.5%) were detected, and 318 (79.5%) were left-censored. We distinguished detect-only ΣPFAS40, defined as the sum of quantified detections, with non-detects set to zero, from median-imputed ΣPFAS40, a model-based total generated using 5,000 censoring-aware imputations per site. Median imputed ΣPFAS40 ranged from 55.5 to 685.2 ng/L. One high-total site (TW08; 95% conditional imputation-uncertainty interval: 673.2–696.8 ng/L) clearly exceeded the other nine sites. Imputation increased ΣPFAS40 by 32–38 ng/L at lower-total sites relative to detect-only sums, demonstrating that non-detect handling materially affects low-end site comparison. Site rankings were stable across distributional assumptions, substitution methods, and qualifier reclassification. River-network distance, catchment land-cover metrics, and multi-year national pollutant discharge records were retained only as screening-level context. Overall, this pilot case study shows that the main value of the dataset lies in a reproducible, qualifier-transparent, and censoring-aware workflow for PFAS reconnaissance, rather than in any definitive assessment of temporal conditions or causal source attribution.

PLOS WaterVol. 5(6)
Texas Christian University (US)
Texas Christian University
Clean water and sanitation
Openalex Percentile: Top 11%
Per- and polyfluoroalkyl substances research
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