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At least 37 records · Page 2

Measuring Impact: Evaluating Thermal Zoning Simplification on Energy Efficiency Measures Analysis

Building Energy Modeling (BEM) is a versatile tool for designing, retrofitting, ensuring code compliance, obtaining certifications, qualifying for incentives, and enabling real-time building control. However, capturing all the details of building geometry for thermal zoning can be time-consuming, costly, and sometimes computationally challenging. As a result, modelers have been applying zoning simplification based on factors such as space functions and internal loads, as well as relying on their experience and judgment while adhering to zoning rules outlined in industry standards. Despite the prevalence of this common practice, a notable gap exists in the literature regarding studies quantifying the influence of simplified thermal zoning on the evaluation of Energy Efficiency Measures (EEMs). Recognizing this gap, this paper seeks to contribute to the field by enhancing the understanding of how the simplification of thermal zoning influences the evaluation of EEMs against a baseline design. The study utilized a medium office prototype model with a detailed floor plan featuring over 20 zones per floor covering diverse functional spaces with varying internal loads and occupancy schedules. A standard thermal zoning strategy outlined in ASHRAE Standard 90.1 Appendix G was employed as the simplified zoning method. This strategy condenses the zoning into a core zone and four perimeter zones per floor. It was compared with the detailed zoning approach, which involves one zone per space. Common Energy EEMs, such as enhanced envelope, high-efficiency appliances and equipment, and HVAC controls, were individually implemented and evaluated. The results indicate that the performance comparison between the two zoning methods varies depending on the type of measures considered. Basic measures, such as adding wall insulation, demonstrate similar energy impacts, while advanced HVAC control measures, such as static pressure reset, exhibit a more substantial difference that cannot be overlooked.

Xie, Jiarong↗

NLR Core Modeling & Decision Support Capabilities: FASTSim, RouteE, T3CO & OpenPATH

This project is part of the program area to develop and improve core capabilities for the Energy-Efficient Mobility Systems (EEMS) program that enable research, development and deployment of advanced mobility solutions and enhance the EEMS Program's ability to address system-level transportation challenges. Advancements to the Future Automotive Systems Technology Simulator (FASTSim), Route Energy Prediction Model (RouteE), Transportation Technology Total Cost of Ownership (T3CO) and Open Platform for Agile Trip Heuristics (OpenPATH) core capabilities under this project supports the overall EEMS Program goals to effectively evaluate energy and mobility impacts of future transportation technologies and services, and to identify the most promising pathways to reduce transportation costs and environmental harms, and to improve mobility access. This presentation was prepared for the 2026 Annual Merit Review of this project.

33 ADVANCED PROPULSION SYSTEMS↗

iLIDS Simulations and Videos for Docking TIM

The video shows various aspects of the International Low Impact Docking System, including team members, some production, configuration, mated androgynous iLIDS, SCS Lockdown system, thermal analysis, electrical engineering aspects, the iLIDS control box and emulator, radiation testing at BNL, component environmental testing, component vibration testing, 3G processor board delivery system, GTA vibe test, EMA testbed, hook and hook disassembly, flex shaftdrive assembly, GSE cradle MISSE-6 Columbus, MISSE 6 and 7 seal experiments, actuated full scale seal test rig, LIDS on Hubble, dynamics test prep, EDU 54 mass emulation and SCS, load ring characterization, 6DOF proof test, SCS at 6DOF, machining EEMS and inner ring assembly, APAS assembly, inner ring fitting, rotation stand assembly, EEMS mating, and EEMS proof of concept demonstration.

Lewis, James L.↗

Advance Local Mobility Through Energy Efficient Mobility Systems Technologies

Everyone deserves reliable, affordable, and safe transportation to connect people to jobs, healthcare, education, and recreation. Our transportation systems are interconnected, multimodal networks working together to move people and goods. These systems are dynamic and are being reshaped by factors such as population trends, new technologies, shifting labor models, economic forces, and changing climate. Energy efficient mobility systems (EEMS) technologies can help transportation planners ensure changes in our transportation systems are equitable and sustainable by improving energy efficiency, travel time, and affordability, as well as overall access to mobility. Transportation planners and decision makers can use the following EEMS tools and strategies to advance local mobility.

ADVANCED PROPULSION SYSTEMS↗

Development of an ultraprecise glue-free bimorph deformable mirror with a length of 460 mm

Lead zirconate titanate (PZT) bimorph mirrors are essential for performing multiple functions, such as beam shaping, wavefront correction, and dynamic focusing with adjustable beam sizes. They typically consist of a mirror substrate with PZT electrodes bonded to the substrate using a thin epoxy film. However, glue-bonded PZT mirrors exhibit low reproducibility in measurement results. One source of this variability is water absorption by the substrate’s epoxy adhesive during wet fabrication processes, such as elastic emission machining (EEM), which leads to swelling and deformation. Additionally, longer deformable bimorph mirrors require larger PZT electrodes, further complicating their design and fabrication, particularly during bonding and ultraprecise metrology. To address these challenges, silver nanoparticles were employed to bond PZT elements to the silicon (Si) mirror, eliminating the need for epoxy glue. Here, in this study, we developed an inorganic-glue-free PZT bimorph mirror with a length of 460 mm and 28 channels. The glue-free bonding method successfully ensured the high reproducibility of measurements after water immersion. This approach resulted in a shape error of only 0.41 nm root mean square after the figure correction process using an ultraprecise EEM process. Scanning acoustic tomography and basic response function tests confirmed the success of the bonding process, showing no critical voids. Furthermore, the shape changes induced by applying voltages to the PZT electrodes closely matched predictions obtained from simulations. These results demonstrate the reliability and precision of the proposed glue-free bonding technique, paving the way for improved performance of new PZT bimorph mirrors.

Ichii, Yoshio [SLAC National Accelerator Laborator↗

Characterization of Long-Term Service Coal Combustion Power Plant Extreme Environment Materials

The objective of this DOE-sponsored project was to develop a comprehensive database of mechanical properties, alloy microstructures, and to a lesser extent, the oxidation/corrosion behaviors of coal-fired power plant components, such as boiler tubing, steam headers, and steam piping, which had been in service for at least 100,000 operating hours (preferably more than 200,000 operating hours) under the operating conditions of high temperatures and high mechanical stresses where creep, fatigue, steam-side oxidation, and fireside corrosion were life-limiting factors. The components included in this database consisted of ferritic steels, creep strength enhanced ferritic (CSEF) steels, and 300-series H-grade stainless steels, as well as dissimilar metal welds (DMWs) among these types of materials. As a result of extensive metallurgical characterization and mechanical testing performed in this project, a comprehensive database on mechanical properties and detailed quantitative microstructural information was successfully developed for several long-term serviced EEM components. Such a database can be used by material research communities to develop, calibrate, refine, and validate mechanical behaviors, models, and other assessment tools for accurate prediction of remaining life of major components under similar EEM operating conditions.

20 FOSSIL-FUELED POWER PLANTS↗

Time and wavelength domain algorithms for chemical analysis by laser radar

Laser-induced fluorescence (LIF) is a promising technique for laser radar applications. Laser radar using LIF has already been applied to algae blooms and oil slicks. Laser radar using LIF has great potential for remote chemical analysis because LIF spectra are extremely sensitive to chemical composition. However, most samples in the real world contain mixtures of fluorescing components, not merely individual components. Multicomponent analysis of laser radar returns from mixtures is often difficult because LIF spectra from solids and liquids are very broad and devoid of line structure. Therefore, algorithms for interpreting LIF spectra from laser radar returns must be able to analyze spectra that overlap in multicomponent systems. This paper analyzes the possibility of using factor analysis-rank annihilation (FARA) to analyze emission-time matrices (ETM) from laser radar returns instead of excitation-emission matrices (EEM). The authors here define ETM as matrices where the rows (or columns) are emission spectra at fixed times and the columns (or rows) are temporal profiles for fixed emission wavelengths. Laser radar usually uses pulsed lasers for ranging purposes, which are suitable for measuring temporal profiles. Laser radar targets are hard instead of diffuse; that is, a definite surface emits the fluorescence instead of an extended volume. A hard target would not broaden the temporal profiles as would a diffuse target. Both fluorescence lifetimes and emission spectra are sensitive to chemical composition. Therefore, temporal profiles can be used instead of excitation spectra in FARA analysis of laser radar returns. The resulting laser radar returns would be ETM instead of EEM.

Rosen, David L.↗

Surface Water Disinfection Byproducts and Organic Matter Characterization Data Associated with: “Disinfection byproducts formed during drinking water treatment reveal an export control point for dissolved organic matter in a subalpine headwater stream”

This dataset is associated with the publication “Disinfection byproducts formed during drinking water treatment reveal an export control point for dissolved organic matter in a subalpine headwater stream” published in Water Research X (Leonard et al. 2022; https://doi.org/10.1016/j.wroa.2022.100144). The associated study analyzed temporal trends from the Town of Crested Butte water treatment facility and synoptic sampling at Coal Creek in Crested Butte, Colorado, US. This work demonstrates how drinking water quality archives combined with synoptic sampling and targeted analyses can be used to identify and understand export control points for dissolved organic matter. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) metadata and international geo-sample number (IGSN) mapping file; (4) dissolved organic carbon (DOC), ultraviolet absorbance at 254 nanometers (UV254), total nitrogen (TN), and specific ultraviolet absorbance (SUVA) data; (5) disinfection bioproduct formation potential (DBP-FP) data; (6) readme; (7) methods codes; (8) water collection protocol; (9) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory); and (10) folder of excitation emissions matrix (EEM) spectra. The FTICR folder contains a file of DOC (measured as non-purgeable organic carbon; NPOC) used for FTICR sample preparation. The FTICR folder also contains three subfolders: one subfolder containing the raw .xml data files, one containing the processed data, and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .dat, .R, .ref, or .xml

54 ENVIRONMENTAL SCIENCES↗

Manuscript Workflows from and Processed Organic Matter Composition of Experimentally Burned Open Air and Muffle Furnace Vegetation Chars across Differing Burn Severity and Feedstock Types from Pacific Northwest, USA (v3)

This dataset includes processed organic matter chemistry data from an experimental study designed to compare how the chemical composition of organic matter changes across different burn conditions and vegetation materials representative of major land cover types of the Pacific Northwest, USA. Chars were created in a closed muffle furnace or on an open burn table from four different feedstock species representing vegetation commonly impacted by fire regimes across the Pacific Northwest, USA. Source data and associated metadata (including methods and geospatial information) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1894135 (Grieger et al. 2022). This dataset provides processing scripts and processed data for both solid and dissolved phase organic matter characterization data from experimentally generated chars. These processed data can be used to compare how different burn conditions may influence resultant organic matter chemistry and help further our understanding of potential biogeochemical impacts on river corridors post-fire. The processed data were subsequently analyzed; and the results and ecological implications of the findings were published in peer-reviewed manuscripts. The scripts and workflows used to develop the manuscripts are also included in this data package.This data package was originally published June 2024. It was updated September 2024 (new and modified files) and in January 2025 (modified files). See the change history section in the readme for more details.This dataset is comprised of one data package readme, one data dictionary (dd), one file level metadata (flmd), and folders containing (A) processed data; (B) general processing scripts; and (C) additional folders with specific manuscript analysis scripts and processed data. Step-by-step instructions to assist the user in recreating the workflow used to generate the results in the manuscripts is also provided. The processed data folder includes (1) a folder of processed Parallel Factor Analysis (PARAFAC) and spectra indices outputs from excitation emissions matrix (EEM) fluorescence and absorbance data; (2) a folder of processed solid state carbon-13 (13-C NMR) integrals; (3) folder of high resolution characterization of organic matter via 21 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory) processed data outputs from Formultitude (https://github.com/PNNL-Comp-Mass-Spec/Formultitude), blank corrections and data aggregation, and calculated molecular indices. All files are .pdf, .csv, .html, .Rmd, .R, or .RData.

54 ENVIRONMENTAL SCIENCES↗

Organic matter distribution in the icy environments of Taylor Valley, Antarctica

Glaciers can accumulate and release organic matter affecting the structure and function of associated terrestrial and aquatic ecosystems. Here we analyzed 18 ice cores collected from six locations in Taylor Valley (McMurdo Dry Valleys), Antarctica to determine the spatial abundance and quality of organic matter, and the spatial distribution of bacterial density and community structure from the terminus of the Taylor Glacier to the coast (McMurdo Sound). Our results showed that dissolved and particulate organic carbon (DOC and POC) concentrations in the ice core samples increased from the Taylor Glacier to McMurdo Sound, a pattern also shown by bacterial cell density. Fluorescence Excitation Emission Matrices Spectroscopy (EEMs) and multivariate parallel factor (PARAFAC) modeling identified one humic-like (C1) and one protein-like (C2) component in ice cores whose fluorescent intensities all increased from the Polar Plateau to the coast. The fluorescence index showed that the bioavailability of dissolved organic matter (DOM) also decreased from the Polar Plateau to the coast. Partial least squares path modeling analysis revealed that bacterial abundance was the main positive biotic factor influencing both the quantity and quality of organic matter. Marine aerosol influenced the spatial distribution of DOC more than katabatic winds in the ice cores. Certain bacterial taxa showed significant correlations with DOC and POC concentrations. Collectively, our results show the tight connectivity among organic matter spatial distribution, bacterial abundance and meteorology in the McMurdo Dry Valley ecosystem.

54 ENVIRONMENTAL SCIENCES↗

Radiolytically reworked Archean organic matter in a habitable deep ancient high-temperature brine

Abstract Investigations of abiotic and biotic contributions to dissolved organic carbon (DOC) are required to constrain microbial habitability in continental subsurface fluids. Here we investigate a large (101–283 mg C/L) DOC pool in an ancient (>1Ga), high temperature (45–55 °C), low biomass (10 2 −10 4 cells/mL), and deep (3.2 km) brine from an uranium-enriched South African gold mine. Excitation-emission matrices (EEMs), negative electrospray ionization (–ESI) 21 tesla Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS), and amino acid analyses suggest the brine DOC is primarily radiolytically oxidized kerogen-rich shales or reefs, methane and ethane, with trace amounts of C 3 –C 6 hydrocarbons and organic sulfides. δ 2 H and δ 13 C of C 1 –C 3 hydrocarbons are consistent with abiotic origins. These findings suggest water-rock processes control redox and C cycling, helping support a meagre, slow biosphere over geologic time. A radiolytic-driven, habitable brine may signal similar settings are good targets in the search for life beyond Earth.

Science & Technology - Other Topics↗

Getting Beyond Widgets: Performance of Efficient Indoor Air Quality System Retrofit Packages for Schools A report on the modeled energy, greenhouse gas, and cost savings of several multi-measure retrofit packages for energy efficiency and indoor air quality in primary schools

School facilities are often underfunded with aging and poorly maintained HVAC and lighting systems. Most existing school buildings stand to benefit significantly from retrofits in terms of energy, cost, and emissions savings. Ventilation and indoor air quality (IAQ), which are important aspects of a healthy and productive learning environment, can also be enhanced by some energy efficiency measures (EEMs). Packaging energy efficiency and IAQ systems retrofits may represent a golden opportunity to improve performance in this critical building sector.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy-Efficient Adaptive Cruise Control Using Eco-Driving Algorithm

SwRI Eco-Driving Algorithm – Objectives and Method – Required Information Streams and Velocity Profile Realization ▪ Impact on Energy Consumption – Study 1 – NEXTCAR II • Individual (ego/eco) vehicle on Blanco Road, San Antonio, TX – Study 2 – DOE EEMS • Entire Urban Corridor – N High Street, Columbus, OH

Bhagdikar, Piyush↗

Path planning for planetary rover using extended elevation map

This paper describes a path planning method for planetary rovers to search for paths on planetary surfaces. The planetary rover is required to travel safely over a long distance for many days over unfamiliar terrain. Hence it is very important how planetary rovers process sensory information in order to understand the planetary environment and to make decisions based on that information. As a new data structure for informational mapping, an extended elevation map (EEM) has been introduced, which includes the effect of the size of the rover. The proposed path planning can be conducted in such a way as if the rover were a point while the size of the rover is automatically taken into account. The validity of the proposed methods is verified by computer simulations.

Nakatani, Ichiro↗

Canopy Level Solar Induced Fluorescence for Vegetation in Controlled Experiments

Solar induced chlorophyll fluorescence (SIF) was retrieved from high resolution reflectance spectra acquired one meter above saplings of three deciduous tree species during springtime (three weeks after leaf flush) and in late summer when foliage was mature. SIF was determined by application of the Fraunhofer Line Depth (FLD) Principal to above-canopy spectra acquired with an Analytical Spectral Devices (ASD) Fieldspec spectroradiometer (3.2 nm resolution with 1.2 nm sampling interval). SIF retrievals were made at the two atmospheric oxygen (O2) absorption features that occur in the chlorophyll fluorescence (ChlF) region (660 -780 nm). These telluric features are 02V, the broader and deeper feature centered at 760 nm, but located on the shoulder of the far-red ChlF peak at 740 nm; and 023, a narrow feature centered at 688 nm that is positioned near the red ChlF peak at 685 nm. Supporting, coincident leaf level fluorescence, reflectance, photochemical and other measurements were also made. At the leaf level, these measurements included in situ photosynthetic capacity (Pmax) and light adapted total chlorophyll fluorescence (Fs') collected at steady state under high light and controlled chamber conditions (e.g., temperature, PAR, humidity, and COz); optical properties (reflectance, transmittance, absorptance); chlorophyll and carotenoid content; specific leaf mass; carbon (C) and nitrogen (N) content; fluorescence emission spectra at multiple excitation wavelengths; the ChlF contribution to red (R) and far-red (FR) reflectance; fluorescence imagery; and fluorescence excitation-emission matrices (EEMs). The tree species examined were tulip poplar (Liriodendron tulipifera L.), red maple (Acer rubrum L.), and sweetgum (Liquidambar styraczflua L.), and each had been provided four levels of N augmentation (0, 19, 37, and 75 kg Nhectare seasonally) to simulate atmospheric deposition from air pollution. Whole-plant SIF measurements of these species were compared with SIF estimates derived using FluorMOD, a radiative transfer model that includes fluorescence properties of foliage, when provided with our supporting measurements. Simulated values for SIF were also compared with similar estimates made over three years for corn (Zea mays L) crops under N treatments (20, 50,70, and 140 kg Nhectare) and with corn and pepper (Capsicum annuum L.) plants provided dimethyl urea (DCMU, 0 and 5 x 10" M) which were grown in pots and grouped in artificial canopies for spectral measurements. For near-surface measurements of healthy and stressed vegetation, red SIF retrieved at 688 nm (023) varied between 2-7 mW/m(exp 2)/nm/sr while far-red SIF retrieved at 760 nm (O2A) varied between 0.5 and 4.0 mW/m(exp 2)/nm/sr. Typical values for the SIF red/far-red ratio ranged between 1.75 and 4.0. Relationships of SIF to spectral reflectance indices and foliar photochemical indices were examined, such as photosynthetic light use efficiency. Initial investigations of the variability in these measurements at the same leaf temperature for sunlit and shaded foliage showed us that shaded foliage produced higher ChlF and light use efficiency. Other factors that affect SIF determinations are discussed. These results will assist in determine the expected intensity of the SIF signal from vegetation near the surface, as well as to identify enhancements needed for FluorMOD (or other such models), and will assist in determining relationships of SIF to reflectance indices and carbon dynamics.

Middleton, E. M.↗

Century: Zap Energy’s 100-kW-Scale Repetitive Sheared-Flow-Stabilized Z -Pinch System with Liquid Metal Cooling

Zap Energy is developing the sheared-flow-stabilized (SFS) Z-pinch concept for commercial applications. The SFS Z pinch relies on plasma self-organization, in the sense that plasma dynamics play a critical role in confinement. Using plasma axial current for confinement and compression eliminates the need for external confinement or heating technologies. This compact magnetic confinement technology could, in turn, provide the basis for a cost-effective deuterium-tritium fusion power plant. In addition to a robust experimental program pushing plasma performance towards breakeven conditions, Zap Energy has parallel programs developing power handling systems suitable for future power plants. Technologies under development include high average-power repetitive pulsed power, high duty-cycle cathodes, and liquid metal wall systems. Century is the name of Zap Energy’s first effort to integrate these three components into an operational system capable of firing non-reacting hydrogen SFS Z-pinch plasmas into a liquid-metal-lined container at sustained repetition rates on the order of 0.1 Hz. Here, the pulsed power driver and liquid metal heat exchanger are both designed to sustain input powers of 100 kW. Construction and initial operations with an interim ~10 kW liquid metal heat exchanger are described.

Century↗

Resonance-Enhanced Multiphoton Ionization in the X-Ray Regime

In this work, we report on the nonlinear ionization of argon atoms in the short wavelength regime using ultraintense x rays from the European XFEL. After sequential multiphoton ionization, high charge states are obtained. For photon energies that are insufficient to directly ionize a 1s electron, a different mechanism is required to obtain ionization to Ar 17+ . We propose this occurs through a two-color process where the second harmonic of the FEL pulse resonantly excites the system via a 1s→2p transition followed by ionization by the fundamental FEL pulse, which is a type of x-ray resonance-enhanced multiphoton ionization (REMPI). This resonant phenomenon occurs not only for Ar 16+ , but also through lower charge states, where multiple ionization competes with decay lifetimes, making x-ray REMPI distinctive from conventional REMPI. With the aid of state-of-the-art theoretical calculations, we explain the effects of x-ray REMPI on the relevant ion yields and spectral profile.

74 ATOMIC AND MOLECULAR PHYSICS↗

Data and scripts associated with a manuscript investigating impacts of solid phase extraction on freshwater organic matter optical signatures and mass spectrometry pairing

This data package is associated with the publication “Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high-resolution mass spectrometry data in a freshwater system” submitted to “Limnology and Oceanography: Methods.” This data is an extension of the River Corridor and Watershed Biogeochemistry SFA’s Spatial Study 2021 (https://doi.org/10.15485/1898914). Other associated data and field metadata can be found at the link provided. The goal of this manuscript is to assess the impact of solid phase extraction (SPE) on the ability to pair ultra-high resolution mass spectrometry data collected from SPE extracts with optical properties collected on ambient stream samples. Forty-seven samples collected from within the Yakima River Basin, Washington were analyzed dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), absorbance, and fluorescence. Samples were subsequently concentrated with SPE and reanalyzed for each measurement. The extraction efficiency for the DOC and common optical indices were calculated. In addition, SPE samples were subject to ultra-high resolution mass spectrometry and compared with the ambient and SPE generated optical data. Finally, in addition to this cross-platform inter-comparison, we further performed and intra-comparison among the high-resolution mass spectrometry data to determine the impact of sample preparation on the interpretability of results. Here, the SPE samples were prepared at 40 milligrams per liter (mg/L) based on the known DOC extraction efficiency of the samples (ranging from ~30 to ~75%) compared to the common practice of assuming the DOC extraction efficiency of freshwater samples at 60%. This data package folder consists of one main data folder with one subfolder (Data_Input). The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) final data summary output from processing script; and (5) the processing script. The R-markdown processing script (SPE_Manuscript_Rmarkdown_Data_Package.rmd) contains all code needed to reproduce manuscript statistics and figures (with the exception of that stated below). The Data_Input folder has two subfolders: (1) FTICR and (2) Optics. Additionally, the Data_Input folder contains dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (SPS_NPOC_Summary.csv) and relevant supporting Solid Phase Extraction Volume information (SPS_SPE_Volumes.csv). Methods information for the optical and FTICR data is embedded in the header rows of SPS_EEMs_Methods.csv and SPS_FTICR_Methods.csv, respectively. In addition, the data dictionary (SPS_SPE_dd.csv), file level metadata (SPS_SPE_flmd.csv), and methods codes (SPS_SPE_Methods_codes.csv) are provided. The FTICR subfolder contains all raw FTICR data as well as instructions for processing. In addition, post processed FTICR molecular information (Processed_FTICRMS_Mol.csv) and sample data (Processed_FTICRMS_Data.csv) is provided that can be directly read into R with the associated R-markdown file. The Optics subfolder contains all Absorbance and Fluorescence Spectra. Fluorescence spectra have been blank corrected, inner filter corrected, and undergone scatter removal. In addition, this folder contains Matlab code used to make a portion of Figure 1 within the manuscript, derive various spectral parameters used within the manuscript, and used for parallel factor analysis (PARAFAC) modeling. Spectral indices (SPS_SpectralIndices.csv) and PARAFAC outputs (SPS_PARAFAC_Model_Loadings.csv and SPS_PARAFAC_Sample_Scores.csv) are directly read into the associated R-markdown file. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗