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At least 19 records

Quality Control Analysis in Real-time (QC-ART): A Tool for Real-time Quality Control Assessment of Mass Spectrometry-based Proteomics Data

Liquid chromatography-mass spectrometry (LC-MS)-based proteomics studies of large sample cohorts can easily require from months to years to complete. Acquiring consistent, high-quality data in such large-scale studies is challenging because of normal variations in instrumentation performance over time, as well as artifacts introduced by the samples themselves, such as those due to collection, storage and processing. Existing quality control methods for proteomics data primarily focus on post-hoc analysis to remove low-quality data that would degrade downstream statistics; they are not designed to evaluate the data in near real-time, which would allow for interventions as soon as deviations in data quality are detected. In addition to flagging analyses that demonstrate outlier behavior, evaluating how the data structure changes over time can aide in understanding typical instrument performance or identify issues such as a degradation in data quality due to the need for instrument cleaning and/or re-calibration. To address this gap for proteomics, we developed Quality Control Analysis in Real-Time (QC-ART), a tool for evaluating data as they are acquired in order to dynamically flag potential issues with instrument performance or sample quality. QC-ART has similar accuracy as standard post-hoc analysis methods with the additional benefit of real-time analysis. We demonstrate the utility and performance of QC-ART in identifying deviations in data quality due to both instrument and sample issues in near real-time for LC-MS-based plasma proteomics analyses of a sample subset of The Environmental Determinants of Diabetes in the Young cohort. We also present a case where QC-ART facilitated the identification of oxidative modifications, which are often underappreciated in proteomic experiments.

Stanfill, Bryan A.↗

Using Synchrophasor Status Word as Data Quality Indicator: What to Expect in the Field?

Data quality plays a crucial role in successful applications of synchrophasor data in power system operation and control. This paper presents the results of a data quality analysis of a multi-year field-recorded synchrophasor dataset. The analysis has identified several typical data quality issues encountered in the field data. An examination of the PMU status words included with the dataset has revealed several inconsistent implementations and the lack of correlation between the PMU data quality and the status word, which impacts the usefulness of such information. Our investigation has concluded that the status word alone as found in the recorded field dataset could not be used as a reliable indicator of data quality for field-recorded data. Several recommendations are proposed to improve the usefulness of the PMU status word.

Cheng, Zheyuan↗

Associations between environmental quality and adult asthma prevalence in medical claims data

Highlights: • Asthma is a complex condition affecting 7.4% of U.S. adults. • Asthma may be driven by multiple exposures operating in tandem. • The Environmental Quality Index measures 5 environmental domains simultaneously. • Worsening overall environmental quality is associated with increasing asthma. • Patterns vary by domain (air, water, land, built, sociodemograhic) and rurality. As of 2014, approximately 7.4% of U.S. adults had current asthma. The etiology of asthma is complex, involving genetics, behavior, and environmental factors. To explore the association between cumulative environmental quality and asthma prevalence in U.S. adults, we linked the U.S. Environmental Protection Agency's Environmental Quality Index (EQI) to the MarketScan{sup ®} Commercial Claims and Encounters Database. The EQI is a summary measure of five environmental domains (air, water, land, built, sociodemographic). We defined asthma as having at least 2 claims during the study period, 2003–2013. We used a Bayesian approach with non-informative priors, implementing mixed-effects regression modeling with a Poisson link function. Fixed effects variables were EQI, sex, race, and age. Random effects were counties. We modeled quintiles of the EQI comparing higher quintiles (worse quality) to lowest quintile (best quality) to estimate prevalence ratios (PR) and credible intervals (CIs). We estimated associations using the cumulative EQI and domain-specific EQIs; we assessed U.S. overall (non-stratified) as well as stratified by rural-urban continuum codes (RUCC) to assess rural/urban heterogeneity. Among the 71,577,118 U.S. adults with medical claims who could be geocoded to county of residence, 1,147,564 (1.6%) met the asthma definition. Worse environmental quality was associated with increased asthma prevalence using the non-RUCC-stratified cumulative EQI, comparing the worst to best EQI quintile (PR:1.27; 95% CI: 1.21, 1.34). Patterns varied among different EQI domains, as well as by rural/urban status. Poor environmental quality may increase asthma prevalence, but domain-specific drivers may operate differently depending on rural/urban status.

54 ENVIRONMENTAL SCIENCES↗

Advanced Simulation and Computing (ASC) Software Quality Plan: ASC Software Quality Engineering Practices (V.4.0)

The purpose of the Sandia National Laboratories (SNL) Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the software quality engineering practices that are the basis for continually improving the quality of ASC software products. This plan defines the SNL ASC Program software quality engineering practices and provides a mapping of these practices to Laboratory Policy System IT008: Provide Quality Software Policy. This plan also identifies ASC Program Management and the software project teams' responsibilities in implementing quality software engineering practices and in assessing progress towards achieving their software quality goals.

97 MATHEMATICS AND COMPUTING↗

Rapid Quality Assessment in Additive Manufacturing: New Procedure Accelerates Build Quality Assessment. White paper

Accelerated growth of the additive manufacturing (AM) industry in recent years is accompanied by a rising need for methods to quickly assess quality at-scale. Current practices for quality inspection include nondestructive test methods and destructive testing of witness coupons, which are artifacts built alongside the actual part. However, these methods can be costly and time-consuming. Recognizing this need, the Additive Manufacturing Center of Excellence (AM CoE) initiated a project led by its partner, Auburn University, to develop rapid testing procedure using asbuilt samples tested in torsion to quantitatively assess build quality. The presented work developed a rapid testing procedure using as-built samples tested in torsion to quantify small variances for assessing build quality.

42 ENGINEERING↗

Challenging problems of quality assurance and quality control (QA/QC) of meteorological time series data

Abstract Representativeness and quality of collected meteorological data impact accuracy and precision of climate, hydrological, and biogeochemical analyses and predictions. We developed a comprehensive Quality Assurance (QA) and Quality Control (QC) statistical framework, consisting of three major phases: Phase I—Preliminary data exploration, i.e., processing of raw datasets, with the challenging problems of time formatting and combining datasets of different lengths and different time intervals; Phase II—QA of the datasets, including detecting and flagging of duplicates, outliers, and extreme data; and Phase III—the development of time series of a desired frequency, imputation of missing values, visualization and a final statistical summary. The paper includes two use cases based on the time series data collected at the Billy Barr meteorological station (East River Watershed, Colorado), and the Barro Colorado Island (BCI, Panama) meteorological station. The developed statistical framework is suitable for both real-time and post-data-collection QA/QC analysis of meteorological datasets.

54 ENVIRONMENTAL SCIENCES↗

FedFleet 2024: Fleet Data Quality - Understanding and Improving Your Agency's FAST Fleet Data Quality Metric? [Slides]

This presentation presents an overview of how the team supporting the Federal Automotive Statistical Tool (FAST) project for DOE and GSA view and assess the quality of fleet data submissions from federal agencies. It also discusses ways in which agencies can improve the quality of their fleet data and of their fleet data submissions. FAST is a web-based information system sponsored by GSA's Office of Government-wide Policy and DOE's Federal Energy Management Program to collect information about the US federal government's fleet of motor vehicles; FAST is developed, maintained, and supported by DOE's Idaho National Laboratory (INL).

99 GENERAL AND MISCELLANEOUS↗

Data-Driven Robust M-LS-SVR-Based NARX Modeling for Estimation and Control of Molten Iron Quality Indices in Blast Furnace Ironmaking

Optimal operation of an industrial blast furnace (BF) ironmaking process largely depends on a reliable measurement of molten iron quality (MIQ), which is not feasible using the conventional sensors. This paper proposes a novel data-driven robust modeling method for online estimation and control of MIQ indices. First, to completely capture the nonlinear dynamics of the BF process, the nonlinear autoregressive exogenous (NARX) model is constructed for the MIQ indices. Then, considering that the standard least-squares support vector regression (LS-SVR) cannot directly cope with the multi-output problem, the multi- task transfer learning is proposed to design a novel multi-output LS-SVR (M-LS-SVR) for learning of the NARX model. Furthermore, a novel M-estimator is proposed to reduce the interference of outliers and improve the robustness of the M-LS- SVR model. Since the weights of different outlier data are properly given by the weight function, their corresponding contributions on modeling can be properly distinguished, thus a robust modeling result can be achieved. Finally, a novel multi- objective evaluation index on modeling performance is developed by comprehensively considering the root mean square error of modeling and the correlation coefficient on trend fitting, based on which the NSGA-II algorithm is used to globally optimize the model parameters. Both experiments using industrial data and industrial applications illustrate that the proposed method can eliminate the adverse effect caused by the fluctuation of data in BF process efficiently, which indicates its stronger robustness and higher accuracy. Moreover, control testing shows that the developed model can be well applied to realize data-driven control of the BF process.

blast cavities, Control↗

Disparities in the air quality monitoring stations and PM₂.₅ in Chicago’s air quality landscape

Fine particulate matter (PM₂.₅) poses significant public and environmental health risks in urban areas. Chicago’s dense industry and traffic create variable air quality, yet monitoring is unevenly distributed, resulting in undersampling of air quality data in some city areas. This study applied a hybrid approach using GIS-based kernel density mapping, interpolation modeling (IDW, Spline, Kriging) of USEPA monitoring data, multi-scale temporal trend analyses (hourly to annual), and ESDA. Accordingly, the density surface showed that monitors are concentrated in the affluent north, northwest, and southwest sides of Chicago (up to ~ 0.07 stations per sq mile), while the south and southeast regions, with predominantly minority communities, have virtually no coverage. Overall, citywide coverage is minimal (~ 4–5 monitors total; ~0.02 per sq mile; ≈1 per 600,000 residents). Temporal analyses showed that the city’s mean annual PM₂.₅ (~ 10.8 µg/m³) exceeds USEPA/WHO standards (9 µg/m³), with summer means (~ 17.1 µg/m³) significantly higher than other seasons. Diurnally, a clear pattern was observed, with PM₂.₅ concentrations peaking overnight (00:00–03:00) and during the morning rush hours, and dipping during midday to late afternoon. Spatial distribution of PM₂.₅ identified hotspots near O’Hare Airport, the downtown Loop area, and south-side neighborhoods, contrasting with lower concentrations on the north side, revealing Chicago’s socioeconomic divides and resulting environmental inequities. The findings underscore the need for expanded monitoring and targeted interventions in under-monitored, high-pollution communities to advance equitable community health.

54 ENVIRONMENTAL SCIENCES↗

Introducing perennial biomass crops into agricultural landscapes to address water quality challenges and provide other environmental services: Integrating perennial bioenergy crops into agricultural landscapes

The world is faced with a difficult multiple challenge of meeting nutritional, energy, and other basic needs, under a limited land and water budget, of between 9 and 10 billion people in the next three decades, mitigating impacts of climate change, and making agricultural production resilient. More productivity is expected from agricultural lands, but intensification of production could further impact the integrity of our finite surface water and groundwater resources. Integrating perennial bioenergy crops in agricultural lands could provide biomass for biofuel and potential improvements on the sustainability of commodity crop production. This article provides an overview of ways in which research has shown that perennial bioenergy grasses and short rotation woody crops can be incorporated into agricultural production systems with reduced indirect land use change, while increasing water quality benefits. Current challenges and opportunities as well as future directions are also highlighted.

Cacho, J. F.↗