Raw data (peak area and height, retention time) for each for each sample and 21 PFAS analytes. The targeted triplicate samples are MB_11A, MB_11B, and MB_11C at time points 0 min, 30 min, 2 hr, 4 hr, and 24 hr. Raw data (masses and peak areas) for non-targeted analysis of resin extracts. This dataset is associated with the following publication: Manning, I.M., N. Guan Pin Chew, H.P. Macdonald, K. Miller, M. Strynar, O. Coronell, and F.A. Leibfarth. Hydrolytically Stable Ionic Fluorogels for High-Performance Remediation of Per- and Polyfluoroalkyl Substances (PFAS) from Natural Water. Angewandte Chemie. John Wiley & Sons, Inc., Hoboken, NJ, USA, 61(41): e202208150, (2022).

Fluorine measurements for target PFAS and PFAS mixtures, fluorine mass balance calculations, non-targeted compound abundances. This dataset is not publicly accessible because: All data not included in the manuscript supplemental information is property of Harvard University. It can be accessed through the following means: Contact: Elsie Sunderland (ems@seas.harvard.edu). Format: Manuscript supplemental information contains tables of outputs of various assays in terms of concentrations. This dataset is associated with the following publication: Ruyle, B.J., C.P. Thackray, J. McCord, M. Strynar, K.A. Mauge-Lewis, S.E. Fenton, and E.M. Sunderland. Reconstructing the Composition of Per- and Polyfluoroalkyl Substances in Contemporary Aqueous Film-Forming Foams. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 8(1): 59-65, (2021).

Fluorine measurements for target PFAS and PFAS mixtures, fluorine mass balance calculations, non-targeted compound abundances. This dataset is not publicly accessible because: All data not included in the manuscript supplemental information is property of Harvard University. It can be accessed through the following means: Contact: Elsie Sunderland (ems@seas.harvard.edu). Format: Manuscript supplemental information contains tables of outputs of various assays in terms of concentrations. This dataset is associated with the following publication: Ruyle, B.J., C.P. Thackray, J. McCord, M. Strynar, K.A. Mauge-Lewis, S.E. Fenton, and E.M. Sunderland. Reconstructing the Composition of Per- and Polyfluoroalkyl Substances in Contemporary Aqueous Film-Forming Foams. Environmental Science & Technology Letters. American Chemical Society, Washington, DC, USA, 8(1): 59-65, (2021).

This data release contains concentration and isotope-dilution standard (IDS) recovery data from individual samples that are summarized and interpreted in the U.S. Geological Survey (USGS) Techniques and Methods (T&M) Report "Determination of Per- and Polyfluoroalkyl Substances in Water by Direct Injection of Matrix-Modified Centrifuge Supernatant and Liquid Chromatography-Tandem Mass Spectrometry with Isotope Dilution". This includes results from method validation experiments and quality control data collected in conjunction with custom sample analysis for customers using USGS National Water Quality Laboratory (NWQL) Laboratory Code 9660 between December 15, 2020 and March 2, 2022. Results in the T&M Report are presented as statistical summaries of data from multiple related samples, the individual sample data that underlie those summaries are presented here.

Samples were collected for a comparison method development study with the University of Minnesota and the U.S. Geological Survey (USGS) National Water Quality Laboratory (NWQL) in Lakewood, Colorado. Widely used liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods fail to capture large fractions of total organofluorine in environmental samples confounding the assessment and remediation of fluorinated pollution. Fluorine nuclear magnetic resonance (19F-NMR) is an inclusive method for organofluorine analysis that preserves chemical information about chemical compound classes of organofluorine.

Measurements of Fluoranthene collected at Coalinga Canal. Currently collected twice a year, previously collected quarterly. Access further information for this data set by contacting Bureau of Reclamation, California-Great Basin Region, Environmental Affairs Division (CGB-157). See ResultAttributes for STAFF_GAUGE, SMPL_DEPTH, SMPL_CATEGORY_NAME, METHOD_CODE, RESULT_RL, RESULT_RL-UNIT_STD_NAME, RESULT_MDL, RESULT_MDL-UNIT_STD_NAME, USBR_QA_SUBTYPE_NAME, USBR_QULFR_DESCRIPTION. STAFF_GAUGE is the water height in decimal feet measured by gauge (e.g., 15.2). SMPL_DEPTH is the vertical depth at which sample is collected (e.g., 0 - 15 cm). For water samples: depth below water/air interface. For sediment and soil samples: depth below water/solid or air/solid interface. SMPL_CATEGORY_NAME is the category type of sample (e.g., Composite). METHOD_CODE is the name of method used to obtain result (e.g., EPA 200.8). RESULT_RL is the result reporting limit (accounting for dilution) (e.g., 0.02). RESULT_RL-UNIT_STD_NAME is the unit associated with RESULT_RL (e.g., mg/L). RESULT_MDL is the result method detection limit (e.g., 0.007). RESULT_MDL-UNIT_STD_NAME is the unit associated with RESULT_MDL (e.g., mg/L). USBR_QA_SUBTYPE_NAME is the quality control type of the sample (e.g., USBR_BLANK_SPIKE). USBR_QULFR_DESCRIPTION is the quality assurance description (if any) (e.g., Result may have a high bias.).

Measurements of Fluoride collected at American River At Folsom Powerhouse. Currently collected twice a year, previously collected quarterly. Access further information for this data set by contacting Bureau of Reclamation, California-Great Basin Region, Environmental Affairs Division (CGB-157). See ResultAttributes for STAFF_GAUGE, SMPL_DEPTH, SMPL_CATEGORY_NAME, METHOD_CODE, RESULT_RL, RESULT_RL-UNIT_STD_NAME, RESULT_MDL, RESULT_MDL-UNIT_STD_NAME, USBR_QA_SUBTYPE_NAME, USBR_QULFR_DESCRIPTION. STAFF_GAUGE is the water height in decimal feet measured by gauge (e.g., 15.2). SMPL_DEPTH is the vertical depth at which sample is collected (e.g., 0 - 15 cm). For water samples: depth below water/air interface. For sediment and soil samples: depth below water/solid or air/solid interface. SMPL_CATEGORY_NAME is the category type of sample (e.g., Composite). METHOD_CODE is the name of method used to obtain result (e.g., EPA 200.8). RESULT_RL is the result reporting limit (accounting for dilution) (e.g., 0.02). RESULT_RL-UNIT_STD_NAME is the unit associated with RESULT_RL (e.g., mg/L). RESULT_MDL is the result method detection limit (e.g., 0.007). RESULT_MDL-UNIT_STD_NAME is the unit associated with RESULT_MDL (e.g., mg/L). USBR_QA_SUBTYPE_NAME is the quality control type of the sample (e.g., USBR_BLANK_SPIKE). USBR_QULFR_DESCRIPTION is the quality assurance description (if any) (e.g., Result may have a high bias.).

This dataset contains the concentration and quality assurance results for 34 per- and polyfluoroalkyl substances (PFAS). 409 residential and commercial tapwater samples were collected once between May 2021 and May 2022, in the contiguous U.S., Alaska, Hawaii, Puerto Rico, and U.S. Virgin Islands. Of these samples 252 were from publicly supplied tapwater locations, and 155 were sourced from private wells, springs or catchment vessels. Additionally, three surface-water samples were collected in New Hampshire (as denoted with a site code suffix of '_SW' in Table 2a). An additional 85 samples were collected at 3 locations (privately sourced tapwater samples in New Jersey (30) and South Carolina (20), and a publicly supplied source in New Jersey (35)) between September 27, 2021 and December 20, 2021 to evaluate PFAS concentrations over time. Individual homeowner kits were shipped with supplies and protocols so the homeowner could collect and return the samples for analysis. Thirty-six quality-assurance field-blank samples were also collected. Quality-assurance matrix spike and surrogate percent recovery results are also presented. Samples were analyzed at the U.S. Geological Survey, National Water Quality Laboratory in Denver, Colorado. For privacy purposes, all sample locations are anonymized.

Measurements of Fluorene collected at Coalinga Canal. Currently collected twice a year, previously collected quarterly. Access further information for this data set by contacting Bureau of Reclamation, California-Great Basin Region, Environmental Affairs Division (CGB-157). See ResultAttributes for STAFF_GAUGE, SMPL_DEPTH, SMPL_CATEGORY_NAME, METHOD_CODE, RESULT_RL, RESULT_RL-UNIT_STD_NAME, RESULT_MDL, RESULT_MDL-UNIT_STD_NAME, USBR_QA_SUBTYPE_NAME, USBR_QULFR_DESCRIPTION. STAFF_GAUGE is the water height in decimal feet measured by gauge (e.g., 15.2). SMPL_DEPTH is the vertical depth at which sample is collected (e.g., 0 - 15 cm). For water samples: depth below water/air interface. For sediment and soil samples: depth below water/solid or air/solid interface. SMPL_CATEGORY_NAME is the category type of sample (e.g., Composite). METHOD_CODE is the name of method used to obtain result (e.g., EPA 200.8). RESULT_RL is the result reporting limit (accounting for dilution) (e.g., 0.02). RESULT_RL-UNIT_STD_NAME is the unit associated with RESULT_RL (e.g., mg/L). RESULT_MDL is the result method detection limit (e.g., 0.007). RESULT_MDL-UNIT_STD_NAME is the unit associated with RESULT_MDL (e.g., mg/L). USBR_QA_SUBTYPE_NAME is the quality control type of the sample (e.g., USBR_BLANK_SPIKE). USBR_QULFR_DESCRIPTION is the quality assurance description (if any) (e.g., Result may have a high bias.).

Data for "Smeltz MG, Clifton MS, Henderson WM, McMillan L, Wetmore BA. Targeted Per- and Polyfluoroalkyl substances (PFAS) assessments for high throughput screening: Analytical and testing considerations to inform a PFAS stock quality evaluation framework. Toxicol Appl Pharmacol. 2023 Jan 15;459:116355. doi: 10.1016/j.taap.2022.116355. Epub 2022 Dec 16. PMID: 36535553". This dataset is associated with the following publication: Smeltz, M., M. Clifton, W. Henderson, L. McMillan, and B. Wetmore. Targeted Per- and Polyfluoroalkyl substances (PFAS) assessments for high throughput screening: Analytical and testing considerations to inform a PFAS stock quality evaluation framework. TOXICOLOGY AND APPLIED PHARMACOLOGY. Academic Press Incorporated, Orlando, FL, USA, 459: 116355, (2023).