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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A Flexible Forwarding Scheme to Improve Latency-Bound Irregular P2P Communication in MPI

We propose an algorithm to efficiently perform latency-bound communication scenarios that consist of many small messages. In these parallel scenarios, processes typically pass around a lot of small-sized messages of a few KBs of size. Performing communication operations with P2P MPI routines or collective MPI routines (including neighborhood collectives) in such scenarios may not always yield the optimal results and may not resolve the latency bottleneck. To this end, we develop a regular structure called virtual process topology (VPT) on which the messages can be communicated in a structured and controlled manner. Using parameters of this topology, one can tune the rate of aggression in tackling the latency costs. We demonstrate that our communication algorithm is preferable to MPI P2P and collective routines for latency-bound communication and it can easily be adapted only by replacing calls to MPI routines in a parallel application. We show how to adapt existing topology-aware mapping heuristics to address the volume overhead due to communicating messages on the VPT. Moreover, we propose a novel swap-based mapping heuristic to address this overhead by optimizing the maximum volume handled by a process. Experiments on synthetic communication graphs as well as real-world applications such as parallel Canonical Polyadic sparse tensor decomposition and parallel sparse matrix-dense matrix multiplication show that our approach is a powerful way of overcoming the bottlenecks posed by sparse and latency-bound irregular communication.

communication algorithm↗
NASA NTRS2016

Pre-Mission Input Requirements to Enable Successful Sample Collection by A Remote Field/EVA Team

The FINESSE (Field Investigations to Enable Solar System Science and Exploration) team, part of the Solar System Exploration Virtual Institute (SSERVI), is a field-based research program aimed at generating strategic knowledge in preparation for human and robotic exploration of the Moon, near-Earth asteroids, Phobos and Deimos, and beyond. In contract to other technology-driven NASA analog studies, The FINESSE WCIS activity is science-focused and, moreover, is sampling-focused with the explicit intent to return the best samples for geochronology studies in the laboratory. We used the FINESSE field excursion to the West Clearwater Lake Impact structure (WCIS) as an opportunity to test factors related to sampling decisions. We examined the in situ sample characterization and real-time decision-making process of the astronauts, with a guiding hypothesis that pre-mission training that included detailed background information on the analytical fate of a sample would better enable future astronauts to select samples that would best meet science requirements. We conducted three tests of this hypothesis over several days in the field. Our investigation was designed to document processes, tools and procedures for crew sampling of planetary targets. This was not meant to be a blind, controlled test of crew efficacy, but rather an effort to explicitly recognize the relevant variables that enter into sampling protocol and to be able to develop recommendations for crew and backroom training in future endeavors.

FINESSE↗
NASA NTRSDate not supplied

An Analysis of Extended Reality Mockups for Use in Verification: Phase 2

NASA commercial providers are increasing their use of Virtual Reality (VR) and Hybrid Reality (HR) technologies in their system development process. The use of these technologies, collectively referred to as Extended Reality (XR) technologies, has been limited to the development phase, but there have been requests to integrate VR and HR mockups into verifications. Verifications require, at minimum, a high-fidelity mockup for activities involving human participation (tests, demonstrations, inspections). HR technology shares many of the strengths but may not share some of the critical shortcomings of VR. Specifically, HR allows for integrating physical objects, such as a suit, which may be critical to evaluating a system. Adopting HR technology still has many of the same challenges as VR. Namely, there is little to no data about the validity of evaluations conducted with HR mockups, an established process, or criteria for evaluating the appropriateness of HR mockups. Because verifications are final and only need to happen once, HR mockups must be adequately vetted before being approved for use in verifications. Further hindering the adoption of these technologies is the lack of consensus on what constitutes a high-fidelity XR mockup. Even for physical mockups, there are guidelines and common criteria, but nothing has been formalized. Discussion about when an XR mockup can be used would be greatly helped by clearly defining what a high-fidelity XR mockup is and how it might be measured. The team will engage with relevant stakeholders to learn more about the benefits and challenges of adopting hybrid reality mockups for verification. The team will build upon work from Phase 1 by maturing a framework to guide decisions for evaluating XR mockups for use in verifications. The team will also conduct experimental studies to evaluate advantages and tradeoffs of hybrid/mixed reality relative to physical and virtual reality mockups. Finally, data from Phase 1 and Phase 2 will be synthesized into a set of best practices for developing and validating XR mockups for verification. We will highlight the work conducted to date in Phase 2. We will present the status of the XR for Verification Framework, a summary of best practices identified thus far, and give a synopsis of future work.

verification testing↗
DOE OSTI2026

Model-based, in-situ, non-destructive qualification and certification of parts made by autonomous additive manufacturing

To address the significant productivity challenges associated with the qualification and certification (Q&C) tasks of additively manufactured (AM) parts, which have traditionally relied on rigorous post‐build inspection and testing, we propose an integrated framework that combines model‐based qualification and certification (MBQ&C) with autonomous additive manufacturing (AAM). MBQ&C employs high‐fidelity predictive models, developed within the Integrated Computational Materials Engineering (ICME) paradigm, to simulate process–structure–property–performance relationships for assessing a part’s fitness for use. Since predictive models are commonly machine learning (ML)-based or reduced-order surrogates of validated physics models, they run efficiently, enabling timely inference. In parallel, the self-driving AAM utilises ML-based adaptive, closed‐loop control strategies to avoid, mitigate, or repair defects and anomalies during fabrication, thereby increasing the likelihood of producing acceptable parts. A key feature of the combined AAM-MBQ&C framework is that predictive models explicitly incorporate defects or anomalies that persist after the build, using instance-specific data captured via in-situ sensing. This customisation enables a build‐specific assessment of fitness for use, rather than relying on nominal or generic parameters. Such individualised evaluation provides a robust basis for Q&C-related acceptance decisions relating to each build. Additionally, the rapid solution capabilities of ML or reduced-order models enable the determination of a part’s suitability for service shortly after build completion. As the framework matures, it has the potential to substantially reduce reliance on conventional point‐design approaches—such as time‐consuming post‐build computed tomography scanning and costly destructive testing. Thus, the AAM-MBQ&C framework represents a transformative, scalable strategy for quality assurance of AM components, as parts produced within a stable, validated, and certified envelope can be certified with reduced testing. Key benefits include: (1) significant gains in Q&C productivity through efficient, model-centric assessment; (2) performance-based classification of defects into critical and non-critical categories; (3) the ability to predict potential deviations in the performance of parts affected by real-time, adaptive process control interventions relative to those produced under a certified process, and (4) the enabling of virtual Q&C for service environments that are difficult, hazardous, or impractical to access or reproduce experimentally. Collectively, these capabilities strengthen the business case for AM, particularly for high‐consequence and mission‐critical applications. Finally, although this work focuses on powder-based AM, the proposed techniques could be extended to AM processes employing alternative feedstock forms.

Gunasegaram, Dayalan↗
NASA NTRS2005

Factors Controlling the Properties of Multi-Phase Arctic Stratocumulus Clouds

The 2004 Multi-Phase Arctic Cloud Experiment (M-PACE) IOP at the ARM NSA site focused on measuring the properties of autumn transition-season arctic stratus and the environmental conditions controlling them, including concentrations of heterogeneous ice nuclei. Our work aims to use a large-eddy simulation (LES) code with embedded size-resolved aerosol and cloud microphysics to identify factors controlling multi-phase arctic stratus. Our preliminary simulations of autumn transition-season clouds observed during the 1994 Beaufort and Arctic Seas Experiment (BASE) indicated that low concentrations of ice nuclei, which were not measured, may have significantly lowered liquid water content and thereby stabilized cloud evolution. However, cloud drop concentrations appeared to be virtually immune to changes in liquid water content, indicating an active Bergeron process with little effect of collection on drop number concentration. We will compare these results with preliminary simulations from October 8-13 during MPACE. The sensitivity of cloud properties to uncertainty in other factors, such as large-scale forcings and aerosol profiles, will also be investigated. Based on the LES simulations with M-PACE data, preliminary results from the NASA GlSS single-column model (SCM) will be used to examine the sensitivity of predicted cloud properties to changing cloud drop number concentrations for multi-phase arctic clouds. Present parametrizations assumed fixed cloud droplet number concentrations and these will be modified using M-PACE data.

Fridlind, Ann↗
NASA NTRS2017

Implicit Formulation of Muscle Dynamics in OpenSim

Astronauts lose bone and muscle mass during spaceflight. Exercise countermeasure is the primary method for counteracting bone and muscle mass loss in space. New spacecraft exercise device concepts are currently being developed for the NASAs new crew exploration vehicle. The NASA Digital Astronaut Project (DAP) uses computational modeling to help determine if the new exercise devices will be effective as countermeasures. The NASA Digital Astronaut Project is developing the ability to utilize predictive simulation to provide insight into the change in kinematics and kinetics with a change in device and gravitational environment (1-g versus 0-g). For example, in space exercise the subject's body weight is applied in addition to the loads prescribed for musculoskeletal maintenance. How and where these loads are applied obviously directly impacts bone and tissue loads. Additionally, due to space vehicle structural requirements, exercise devices are often placed on vibration isolation systems. This changes the apparent impedance or stiffness of the device as seen by the user. Data collection under these conditions is often impractical and limited. Predictive modeling provides a means to have a virtual subject to test hypotheses. Predictive simulation provides a virtual subject for which we are able to perform studies such as sensitivity to device loading and vibration isolation without the need for laboratory kinematic or kinetic test data.Direct Collocation optimization provides an efficient means to perform task based optimization and predictive modeling. It is relatively straight forward to structure a physical exercise task in a Direct Collocation mathematical formulation: perform a motion such that you start at an initial pose, achieve a given amount of deflection i.e a squat, return to the initial pose, and minimize muscle activation cost. Direct Collocation is advantageous in that it does not require numerical integration to evaluate the objective function. Instead, the system dynamics are transformed to discrete time and the optimizer is constrained such that the solution is not considered to be a valid unless the dynamic equations are satisfied at all time points. The simulation and optimization are effectively done simultaneously. Due to the implicit integration, time steps can be more coarse than in a differential equation solver. In a gait scenario this means that that the model constraints and cost function are evaluated at 100 nodes in the gait cycle versus 10,000 integration steps in a variable-step forward dynamic simulation. Furthermore, no time is wasted on accurate simulations of movements that are far from the optimum. Constrained optimization algorithms require a Jacobian matrix that contains the partial derivatives of each of the dynamic constraints with respect to of each of the state and control variables at all time points. This is a large but sparse matrix. An implicit dynamics formulation requires computation of the dynamic residuals f as a function of the states x and their derivatives, and controls u:f(x, dxdt, u) 0If the dynamics of musculoskeletal system are formulated implicitly, the Jacobian elements are often available analytically, eliminating the need for numerical differentiation; this is obviously computationally advantageous. Additionally, implicit formulation of musculoskeletal dynamics do not suffer from singularities from low mass bodies, zero muscle activation, or other stiff system or

physical exercise↗
NASA NTRS2024

The Radio Fundamental Catalogue. I. Astrometry

We present the all-sky catalogue of absolute positions and estimates of correlated flux density of 21,942 compact radio sources determined from processing interferometric visibility data of virtually all VLBI observing sessions at 2 to 23~GHz from 72 programs suitable for absolute astrometry collected for 30 years. We used a novel technique of generation of a dataset of fused observables that allowed us to incorporate all available data in our analysis. The catalogue is the most complete and most precise to date. It forms the foundation and reference for positional astronomy, space geodesy, space navigation, population analysis of active galactic nuclei (AGNs), and provides calibrators for phase-referencing for differential astrometry and VLBI astrophysical observations. Its accuracy was evaluated through a detailed accounting systematic errors, rigorous decimation tests, comparison of different datasets, and comparison with other catalogues. The catalogue samples preferentially the AGNs with a strong contemporary parsec-scale synchrotron emission. Its milliarcsecond level positional accuracy allows association of these AGNs with detections in a wide range of the electromagnetic spectrum from low-frequency radio to gamma-rays and high energy neutrinos. We describe the innovative data processing and calibration technique in full detail, report the in depth analysis of random and systematic positional errors, and provide the list of associations with large surveys at different wavelengths.

Astronomy↗
DOE OSTI2022

What, why and when to go virtual: An international analysis of early adopters of virtual building energy codes inspections

To meet greenhouse gas reduction targets, several countries are pursuing more ambitious policies in their buildings and construction sectors, such as introducing zero net energy/carbon building codes. Countries often report not having enough qualified staff for performing building energy code inspections and many are exploring faster, easier, and more reliable methods to check the compliance of buildings with their codes. Building inspections are a critical element for ensuring code compliance and they have traditionally been performed in person. However, in-person inspections can be labor and travel intensive, costly, and prone to human error. In this paper, the authors explore how virtual inspections, particularly in light of the recent COVID-19 pandemic, have impacted processes for building code compliance checks in jurisdictions and communities around the world. Here, the authors collected data on four key parameters (time and financial savings, scope of inspections, changing practices and technological innovation, and benefits to consumers) from six jurisdictions and communities in five countries (Australia, Canada, Singapore, United Arab Emirates, and the United States) to analyze the impacts of virtual inspections on code compliance checks. The analysis found the greatest value from virtual inspections in geographically dispersed regions and for cities experiencing rapid building construction. The study also explored emerging technologies that are being piloted for virtual inspections. Although many of these technologies hold promise, more resources and capacity are needed to make them viable for use in building energy code inspections.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1992

An interactive preprocessor for the NASA engine performance program

The Simplified NEPP Automated Preprocessor (SNAP), which is written to aid in the preparation of input data files for the NASA Engine Performance Program (NEPP), is described. Specifically, SNAP is a software package on the Virtual Machine operating system that prompts the NEPP user for input information via a series of menus. The data collected from these menus are assimilated into an input file suitable for the running of NEPP. SNAP acts as a user-friendly preprocessing interface for NEPP. This serves as an introduction to the SNAP software, a user's manual, a description of the program logic, and a maintenance manual for future modifications to the software.

Berton, Jeffrey J.↗
DOE OSTI2026

New principles of self‐organization created through the interplay of DNA condensates, microtubules, and motors

Bioinspired design—which holds great promise for a new generation of materials that are robust to defects, scalable under green manufacture, environmentally responsive, and programmably reconfigurable—requires mastery over molecular self-organization. Yet, from its specific mechanisms to most general architectures, the principles governing self-organization remain poorly understood and not even fully enumerated. For living systems, one obvious architectural principle is the modular reuse of a few simple molecular components in myriad combinations to achieve more complex phenomena. For example, the mechanical tasks of a cell are driven by the nonequilibrium dynamics of cytoskeletal filaments and molecular motors—the same filaments and motors, reprogrammed by a variety of modulators, perform tasks ranging from cell movement to division. Similarly, many compartmentalization tasks are performed by liquid-like condensates of simple components, which act as membraneless organelles to localize particular molecules in space and time (e.g. for gene regulation or RNA processing). In a few cases, condensates combine and interact with the cytoskeleton to create still more complex phenomena, e.g. the nucleation of microtubule asters from the centrosome (a protein condensate) to form the mitotic spindle during cell division. Very little is known about the fundamental mechanisms of such filament-plus-condensate phenomena. Despite few examples, the landscape of behaviors that can be achieved through the combination of condensates, filaments, and motors appears vast. However, exploration has been hindered by a lack of systems that have sufficiently programmable and dynamically tunable interactions between component condensates, filaments, and motors. We proposed to combine programmable DNA condensates, filamentous microtubules, and light-controlled motors into self-organizing systems whose principles go beyond those that have been observed in nature. In one limit, our systems will use microtubules and motors to create the molecular analog of a network of roads, which will organize droplets of DNA condensates capable of carrying molecular cargo. DNA condensates coupled to motors will flow from one microtubule aster hub to another, with their direction and timing controlled by DNA circuits. In another limit, microtubules will swim through bulk DNA condensates and exhibit strong interactions with boundaries between different types of condensates. Microtubule swimmers will reflect, get trapped, or refract at boundaries, under a mechanical analog of the classical optical index of refraction. DNA condensates having different mechanical indexes of refraction will be used to construct the analog of optical lenses, so that microtubule swimmers can be manipulated like light—collimated, diffracted, focused, and sorted based on properties analogous to wavelength. These two limits define two new architectures, within which multiple new mechanistic principles for self-organization will be discovered and explored. To explore these architectures, the motor-based coupling between DNA condensates and filaments will be controlled in time and space through the use of opto-proteins that create reversible links between DNA condensates and motors upon illumination. For each principle of interest, patterns of light will create virtual experiments by defining patterns of activity where DNA condensates walk along filaments, or filaments swim through condensates, and patterns of inactivity which will serve either as controls, or as boundary conditions vital to create the desired phenomena. This research serves the goals of Basic Energy Sciences Biomolecular Material Program by elucidating the principles by which the emergent, nonequilibrium behavior of collections of DNA condensates, motors, and microtubules can be programmed by environmental light patterns to create complex motion and materials transport. Because DNA condensates can be readily coupled to virtually any high performance nanomaterial, from carbon nanotubes, to metal nanoparticles, to light harvesting systems, this work provides a path to the construction, self-maintenance and reconfiguration of materials relevant to the Department of Energy.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2010

Developing Collective Training for Small Unmanned Aerial Systems Employment

The projected use of small unmanned aerial systems (SUAS) in military operations will produce training requirements which go beyond current capabilities. The paper describes the development of prototype training procedures and accompanying research simulations to address this need. We initially constructed a testbed to develop simulation-based training for an SUAS operator equipped with a simulated vertical-lift and land SUAS. However, the required training will go beyond merely training an operator how to pilot an SUAS. In addition to tactics, techniques, and procedures for employment of SUASs, collective training methods must be trained. Moreover, the leader of a unit equipped with SUAS will need to learn how to plan missions which incorporate the SUAS, and take into account air space and frequency management considerations. The demands of the task require the leader to allocate personnel to the SUAS mission, communicate and coordinate with those personnel during the mission, and make use of the information provided. To help address these training issues, we expanded our research testbed to include a command and control node (C2 node), to enable communications between a leader and the SUAS operator. In addition, we added a virtual environment in which dismounted infantry missions can be conducted. This virtual environment provides the opportunity for interactions among human-controlled avatars and non-player characters (NPCs), plus authoring tools to construct scenarios. Using these NPCs, a collective exercise involving friendly, enemy, and civilian personnel can be conducted without the need for a human role-player for every entity. We will describe the results of our first experiment, which examined the ability of players to negotiate use of the C2 node and the virtual environment at the same time, in order to see if this is a feasible combination of tools for training development.

Durlach, Paula J.↗
NASA NTRS1983

Relationship between the blue response and open-circuit voltage of high performance silicon solar cells

The relationship between the response at blue wavelengths and the open-circuit voltage of high performance silicon solar cells with a virtually 'transparent' emitter is analyzed. It is shown that a one-dimensional cell model cannot simultaneously model the optical collection properties and operating characteristics of such cells. The analysis highlights the importance of surface conditions and shows that previous conclusions regarding bounds on Auger coefficients imposed by correlating these parameters must be treated with caution.

Green, M. A.↗
NASA NTRS1998

Applying Space Technology to Enhance Control of an Artificial Arm for Children and Adults With Amputations

The first single function myoelectric prosthetic hand was introduced in the 1960's. This hand was controlled by the electric fields generated by muscle contractions in the residual limb of the amputee user. Electrodes and amplifiers, embedded in the prosthetic socket, measured these electric fields across the skin, which increase in amplitude as the individual contracts their muscle. When the myoelectric signal reached a certain threshold amplitude, the control unit activated a motor which opened or closed a hand-like prosthetic terminal device with a pincher grip. Late in the 1990's, little has changed. Most current myoelectric prostheses still operate in this same, single-function way. To better understand the limitations of the current single-function myoelectric hand and the needs of those who use them, The Institute for Rehabilitation and Research (TIRR), sponsored by the National Institutes of Health (NUH), surveyed approximately 2,500 individuals with upper limb loss [1]. When asked to identify specific features of their current myoelectric prostheses that needed improvement, the survey respondents overwhelmingly identified the lack of wrist and finger movement, as well as poor control capability. However, simply building a mechanism with individual finger and wrist motion is not enough. In the 1960's and 1970's, engineers built a number of more dexterous prosthetic hands. Unfortunately, these were rejected during clinical trials due to a difficult and distracting control interface. The goal of this project, "Applying Space Technology to Enhance Control of an Artificial Arm for Children and Adults with Amputations," was to lay the foundation for a multi-function, intuitive myoelectric control system which requires no conscious thought to move the hand. We built an extensive myoelectric signal database for six motions from ten amputee volunteers, We also tested a control system based on new artificial intelligence techniques on the data from two of these subjects. This data is available to anyone doing myoelectric control research. Its availability is an important contribution to the prosthetics research community, as many researchers do not have access to amputee subjects. Since we collected myoelectric data from subjects' sound arms as well as their residual arms, this database will also prove useful to virtual reality and robotics researchers who want to explore myoelectric-based interfaces between any user and a machine. Currently, one small company (Intelligenta, Inc.) and one university (University of New Brunswick, Canada) are using this myoelectric database under other funding to develop multifunction control systems for prostheses. A prosthetics manufacturer (Liberty Technology, Inc.) is making plans to incorporate the results of their work into an artificial hand capable of several different movements to provide functionality only dreamed of by current myoelectric users. Methods Six adults and four children, all with unilateral, below-elbow amputations served as subjects. Five of the adults (3 male, 2 female, average age 34 years) had amputations due to traumatic injury, while one adult (female, age 32 years) and the four children (3 male, 1 female, average age 13 years) had congenital (i.e. from birth) limb deficiencies.

Atkins, Diane J.↗
NASA NTRS2014

Climate Analytics as a Service

Climate science is a big data domain that is experiencing unprecedented growth. In our efforts to address the big data challenges of climate science, we are moving toward a notion of Climate Analytics-as-a-Service (CAaaS). CAaaS combines high-performance computing and data-proximal analytics with scalable data management, cloud computing virtualization, the notion of adaptive analytics, and a domain-harmonized API to improve the accessibility and usability of large collections of climate data. MERRA Analytic Services (MERRA/AS) provides an example of CAaaS. MERRA/AS enables MapReduce analytics over NASA's Modern-Era Retrospective Analysis for Research and Applications (MERRA) data collection. The MERRA reanalysis integrates observational data with numerical models to produce a global temporally and spatially consistent synthesis of key climate variables. The effectiveness of MERRA/AS has been demonstrated in several applications. In our experience, CAaaS is providing the agility required to meet our customers' increasing and changing data management and data analysis needs.

big data↗
DOE OSTI2023

Advanced Sensors and Instrumentation 2022 Summary of Accomplishments

The Advanced Sensors and Instrumentation (ASI) program is the element of the Nuclear Energy Enabling Technologies (NEET) initiative dedicated to Instrumentation and Control (I&C) technology. This document collects in the form of summaries the research accomplishments presented at the program 2022 Annual Review meeting, which was held virtually between October 24 and October 27, 2022.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Advanced Sensors & Instrumentation FY24 Summary of Accomplishments

The Advanced Sensors and Instrumentation (ASI) program is the element of the Nuclear Energy Enabling Technologies (NEET) initiative dedicated to Instrumentation and Control (I&C) technology. This document collects in the form of summaries the research accomplishments presented at the program 2024 Annual Review meeting, which was held virtually between November 4 & 6-7, 2024.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2024

Data and scripts associated with “Riverine dissolved organic matter transformations increase with watershed area, water residence time, and Damköhler numbers in nested watersheds” (v2)

This data package is associated with the publication “Riverine dissolved organic matter transformations increase with watershed area, water residence time, and Damköhler numbers in nested watersheds” submitted to Biogeochemistry by Ryan et al., 2024 (DOI: https://doi.org/10.1007/s10533-024-01169-5). This study aims to investigate fundamental and transferable drivers of dissolved organic matter (DOM) diversity across five nested watersheds within the contiguous United States. DOM diversity was explored using ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). The samples and the unprocessed FTICR-MS data used in this study are publicly available on the Environmental System Science Data Infrastructure for a Virtual Ecosystem (ESS-DIVE) data repository (see DOIs below). The data for the Willamette, Gunnison, Connecticut, and Deschutes basins were collected as part of a collaboration between the Watershed Rules of Life (WROL) project and Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS). The data for the Yakima River basin (YRB) was collected by the PNNL River Corridor SFA. The raw, unprocessed FTICR-MS data with additional (meta)data can be found at doi:10.15485/1895159 for WROL samples and doi:10.15485/1898912 for YRB samples. This data package contains the processed data used in the associated manuscript. This package also contains ancillary geospatial, hydrological, and geochemical information that supports the interpretation of the FTICR-MS data within Ryan et al., 2024. This data package is associated with the GitHub repository found at https://github.com/WHONDRS-Hub/rcsfa-RC4-WROL-YRB_DOM_Diversity. This data package was originally published August 2024. It was updated January 2025 (modified files). See the change history in the readme more details. At the directory level, the data package is comprised of three folders: (1) data, (2) output, and (3) src; and five additional files including the data dictionary (file ending in "_dd.csv”) and file-level metadata (file ending in “_flmd.csv”). The “src” folder contains the scripts used to process the FTICR data, conduct the analyses, and produce the manuscript figures. The inputs for these scripts are in the “data” folder and the returned outputs in the “output” folder. Inputs include temporal and spatial metadata associated with the sampling efforts, processed FTICR data, and total and normalized putative biochemical transformations per sample. Outputs include cleaned and combined data presented as tables, descriptive statistics, and plots. The file-level metadata file lists all files contained in this data package and descriptions for each. The data dictionary describes the units and definitions for each tabular data column or row header.

54 ENVIRONMENTAL SCIENCES↗