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DOE OSTI2024

The FRB-searching Pipeline of the Tianlai Cylinder Pathfinder Array

This paper presents the design, calibration, and survey strategy of the Fast Radio Burst (FRB) digital backend and its real-time data processing pipeline employed in the Tianlai Cylinder Pathfinder Array. The array, consisting of three parallel cylindrical reflectors and equipped with 96 dual-polarization feeds, is a radio interferometer array designed for conducting drift scans of the northern celestial semi-sphere. The FRB digital backend enables the formation of 96 digital beams, effectively covering an area of approximately 40 square degrees with the 3 dB beam. Our pipeline demonstrates the capability to conduct an automatic search of FRBs, detecting at quasi-real-time and classifying FRB candidates automatically. The current FRB searching pipeline has an overall recall rate of 88%. During the commissioning phase, we successfully detected signals emitted by four well-known pulsars: PSR B0329+54, B2021+51, B0823+26, and B2020+28. We report the first discovery of an FRB by our array, designated as FRB 20220414A. We also investigate the optimal arrangement for the digitally formed beams to achieve maximum detection rate by numerical simulation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

RTN-117: Image Calibration and Instrument Signal Removal for the First Year of the LSST

The NSF-DOE Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) requires calibration products that provide uniform, stable, and accurate photometric and astrometric performance across the 3.2 gigapixel focal plane and throughout the 10-year survey. This paper details the algorithms and workflows used to produce instrument calibrations and remove instrumental artifacts for Data Preview 2 (DP2)---the first end-to-end processing demonstration using on-sky data with the LSST Camera (LSSTCam). We describe the verification, acceptance, and certification framework used to assess calibration quality and quantify residual systematics. We show baseline metrics on calibrated science images to evaluate the robustness of the calibration and instrument signature removal (ISR) data processing pipelines for DP2. Finally, we summarize the known limitations observed in DP2 production and outline expected algorithmic improvements for the first public LSST data release (Data Release~1, DR1).

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1997

Joint US-Japan Observations with the Infrared Space Observatory (ISO): Deep Surveys and Observations of High-Z Objects

Several important milestones were passed during the past year of our ISO observing program: (1) Our first ISO data were successfully obtained. ISOCAM data were taken for our primary deep field target in the 'Lockman Hole'. Thirteen hours of integration (taken over 4 contiguous orbits) were obtained in the LW2 filter of a 3 ft x 3 ft region centered on the position of minimum HI column density in the Lockman Hole. The data were obtained in microscanning mode. This is the deepest integration attempted to date (by almost a factor of 4 in time) with ISOCAM. (2) The deep survey data obtained for the Lockman Hole were received by the Japanese P.I. (Yoshi Taniguchi) in early December, 1996 (following release of the improved pipeline formatted data from Vilspa), and a copy was forwarded to Hawaii shortly thereafter. These data were processed independently by the Japan and Hawaii groups during the latter part of December 1996, and early January, 1997. The Hawaii group made use of the U.S. ISO data center at IPAC/Caltech in Pasadena to carry out their data reduction, while the Japanese group used a copy of the ISOCAM data analysis package made available to them through an agreement with the head of the ISOCAM team, Catherine Cesarsky. (3) Results of our LW2 Deep Survey in the Lockman Hole were first reported at the ISO Workshop "Taking ISO to the Limits: Exploring the Faintest Sources in the Infrared" held at the ISO Science Operations Center in Villafranca, Spain (VILSPA) on 3-4 February, 1997. Yoshi Taniguchi gave an invited presentation summarizing the results of the U.S.-Japan team, and Dave Sanders gave an invited talk summarizing the results of the Workshop at the conclusion of the two day meeting. The text of the talks by Taniguchi and Sanders are included in the printed Workshop Proceedings, and are published in full on the Web. By several independent accounts, the U.S.-Japan Deep Survey results were one of the highlights of the Workshop; these data showed conclusively that the ISOCAM S/N continues to decrease as the square root of time for periods as long as 13 hours.

Sanders, David B.↗

DOE OSTI2024

Electrification Analysis: All Aboard America!

This one-page highlight details the key takeaways from a project that utilized NREL's Fleet Research, Energy Data, and Insights (FleetREDI) data analysis pipeline, an electrification analysis for the Bustang motorcoach fleet operated by All Aboard America! Holdings Inc. (AAA). NREL installed logging devices and collected operational data on nine 40-foot Bustang motorcoaches operating on fixed routes from May 2022 through August 2022. The analysis determined that partial fleet electrification may be feasible with electrified motorcoach options currently on the market. While this fleet faces significant challenges to electrification given current market options due to demanding range requirements and relatively limited charging opportunities, vehicles operating on the shorter, lower-grade routes along the I-25 corridor show more immediately available electrification potential. Increases in available battery capacity and the availability of fast-charging locations along I-70 routes are likely critical for electrification of the full fleet.

AAA↗

NASA NTRS2005

An XMM-Newton Monitoring Campaign of the Accretion Flow in IGRJ16318-4848

This grant is associated to a successful XMM-Newton-AO3 observational proposal to monitor the spectrum of the X-ray loud component of the recently discovered binary system IGR J16138-4848, to study the conditions of the accretion flows (and their evolution) in binary system. All four EPIC-PN and MOS observations of the target have now been performed (the last one of the 4, only 3 months ago). The four observations were logarithmically spaced, so to cover timescales from days to months. Data from all four pointings have now been reduced, using the XMM-Newton data reduction pipeline, and spectra and lightcurves from the target have been extracted. For the first three observations we have already performed the observation-by-observation data analysis, by fitting the single EPIC spectra with spectral models that include an intrinsic continuum power law (reduced at low energy by neutral absorption), a 6.4 keV iron emission line (detected in all spectra with varying intensity) and a Compton-reflection component. A Compton reflection component is also detected in all spectra, although at lower significance. The analysis of the fourth and last observation of our monitoring campaign has just recently begun. Next, we will (1) stack together the four observations of IGR J16138-4848, to obtain high-accuracy estimates of the average spectral parameters of this object; and then (2) proceed to the time-evolving analysis, of the three spectral parameters: (a) Gamma (the slope of the intrinsic continuum), (b) W(FeK), the equivalent width of the 6.4 keV Iron emission line, and (c) R, the relative amount of Compton reflection. Through this time-resolved spectroscopic analysis we hope to constrain (a) the physical state of the accreting matter and its relation with the X-ray output, and (b) the evolution of the accretion flow geometry, distribution and covering factor.

Mushotzky, Richard↗

DOE OSTI2021

Deep-Learning-Derived Evaluation Metrics Enable Effective Benchmarking of Computational Tools for Phosphopeptide Identification

Tandem mass spectrometry (MS/MS)-based phosphoproteomics is a powerful technology for global phosphorylation analysis. However, applying four computational pipelines to a typical mass spectrometry (MS)-based phosphoproteomic dataset from a human cancer study, we observed a large discrepancy among the reported phosphopeptide identification and phosphosite localization results, underscoring a critical need for benchmarking. While efforts have been made to compare performance of computational pipelines using data from synthetic phosphopeptides, evaluations involving real application data have been largely limited to comparing the numbers of phosphopeptide identifications due to the lack of appropriate evaluation metrics. We investigated three deep learning-derived features as potential evaluation metrics: phosphosite probability, Delta RT and spectral similarity. Predicted phosphosite probability is computed by MusiteDeep, which provides high accuracy as previously reported; Delta RT is defined as the absolute retention time (RT) difference between RTs observed and predicted by AutoRT; and spectral similarity is defined as the Pearson’s correlation coefficient between spectra observed and predicted by pDeep2. Using a synthetic peptide dataset, we found that both Delta RT and spectral similarity provided excellent discrimination between correct and incorrect peptide-spectrum matches (PSMs) both when incorrect PSMs involved wrong peptide sequences and even when incorrect PSMs were caused by only incorrect phosphosite localization. Based on these results, we used all the three deep learning-derived features as evaluation metrics to compare different computational pipelines on diverse set of phosphoproteomic datasets and showed their utility in benchmarking performance of the pipelines. The benchmark metrics demonstrated in this study will enable users to select computational pipelines and parameters for routine analysis of phosphoproteomics data and will offer guidance for developers to improve computational methods.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2012

Enabling Earth Science Through Cloud Computing

Cloud Computing holds tremendous potential for missions across the National Aeronautics and Space Administration. Several flight missions are already benefiting from an investment in cloud computing for mission critical pipelines and services through faster processing time, higher availability, and drastically lower costs available on cloud systems. However, these processes do not currently extend to general scientific algorithms relevant to earth science missions. The members of the Airborne Cloud Computing Environment task at the Jet Propulsion Laboratory have worked closely with the Carbon in Arctic Reservoirs Vulnerability Experiment (CARVE) mission to integrate cloud computing into their science data processing pipeline. This paper details the efforts involved in deploying a science data system for the CARVE mission, evaluating and integrating cloud computing solutions with the system and porting their science algorithms for execution in a cloud environment.

science data system↗

NASA NTRS2007

The PICWidget

The Plug-in Image Component Widget (PICWidget) is a software component for building digital imaging applications. The component is part of a methodology described in GIS Methodology for Planning Planetary-Rover Operations (NPO-41812), which appears elsewhere in this issue of NASA Tech Briefs. Planetary rover missions return a large number and wide variety of image data products that vary in complexity in many ways. Supported by a powerful, flexible image-data-processing pipeline, the PICWidget can process and render many types of imagery, including (but not limited to) thumbnail, subframed, downsampled, stereoscopic, and mosaic images; images coregistred with orbital data; and synthetic red/green/blue images. The PICWidget is capable of efficiently rendering images from data representing many more pixels than are available at a computer workstation where the images are to be displayed. The PICWidget is implemented as an Eclipse plug-in using the Standard Widget Toolkit, which provides a straightforward interface for re-use of the PICWidget in any number of application programs built upon the Eclipse application framework. Because the PICWidget is tile-based and performs aggressive tile caching, it has flexibility to perform faster or slower, depending whether more or less memory is available.

Norris, Jeffrey↗

NASA NTRS2010

Photometer Performance Assessment in Kepler Science Data Processing

This paper describes the algorithms of the Photometer Performance Assessment (PPA) software component in the science data processing pipeline of the Kepler mission. The PPA performs two tasks: One is to analyze the health and performance of the Kepler photometer based on the long cadence science data down-linked via Ka band approximately every 30 days. The second is to determine the attitude of the Kepler spacecraft with high precision at each long cadence. The PPA component is demonstrated to work effectively with the Kepler flight data.

Li, Jie↗

NASA NTRS2010

Data Validation in the Kepler Science Operations Center Pipeline

We present an overview of the Data Validation (DV) software component and its context within the Kepler ScienceOperations Center (SOC) pipeline and overall Kepler Science mission. The SOC pipeline performs a transiting planetsearch on the corrected light curves for over 150,000 targets across the focal plane array. We discuss the DV strategy forautomated validation of Threshold Crossing Events (TCEs) generated in the transiting planet search. For each TCE, atransiting planet model is fitted to the target light curve. A multiple planet search is conducted by repeating the transitingplanet search on the residual light curve after the model flux has been removed; if an additional detection occurs, aplanet model is fitted to the new TCE. A suite of automated tests are performed after all planet candidates have beenidentified. We describe a centroid motion test to determine the significance of the motion of the target photocenterduring transit and to estimate the coordinates of the transit source within the photometric aperture; a series of eclipsingbinary discrimination tests on the parameters of the planet model fits to all transits and the sequences of odd and eventransits; and a statistical bootstrap to assess the likelihood that the TCE would have been generated purely by chancegiven the target light curve with all transits removed.

photometry↗

NASA NTRS2010

Data Validation in the Kepler Science Operations Center Pipeline

We present an overview of the Data Validation (DV) software component and its context within the Kepler Science Operations Center (SOC) pipeline and overall Kepler Science mission. The SOC pipeline performs a transiting planet search on the corrected light curves for over 150,000 targets across the focal plane array. We discuss the DV strategy for automated validation of Threshold Crossing Events (TCEs) generated in the transiting planet search. For each TCE, a transiting planet model is fitted to the target light curve. A multiple planet search is conducted by repeating the transiting planet search on the residual light curve after the model flux has been removed; if an additional detection occurs, a planet model is fitted to the new TCE. A suite of automated tests are performed after all planet candidates have been identified. We describe a centroid motion test to determine the significance of the motion of the target photocenter during transit and to estimate the coordinates of the transit source within the photometric aperture; a series of eclipsing binary discrimination tests on the parameters of the planet model fits to all transits and the sequences of odd and even transits; and a statistical bootstrap to assess the likelihood that the TCE would have been generated purely by chance given the target light curve with all transits removed. Keywords: photometry, data validation, Kepler, Earth-size planets

Wu, Hayley↗

DOE OSTI2024

metabCombiner 2.0: Disparate Multi-Dataset Feature Alignment for LC-MS Metabolomics

Liquid chromatography–high-resolution mass spectrometry (LC-HRMS), as applied to untargeted metabolomics, enables the simultaneous detection of thousands of small molecules, generating complex datasets. Alignment is a crucial step in data processing pipelines, whereby LC-MS features derived from common ions are assembled into a unified matrix amenable to further analysis. Variability in the analytical factors that influence liquid chromatography separations complicates data alignment. This is prominent when aligning data acquired in different laboratories, generated using non-identical instruments, or between batches from large-scale studies. Previously, we developed metabCombiner for aligning disparately acquired LC-MS metabolomics datasets. Here, we report significant upgrades to metabCombiner that enable the stepwise alignment of multiple untargeted LC-MS metabolomics datasets, facilitating inter-laboratory reproducibility studies. To accomplish this, a “primary” feature list is used as a template for matching compounds in “target” feature lists. We demonstrate this workflow by aligning four lipidomics datasets from core laboratories generated using each institution’s in-house LC-MS instrumentation and methods. We also introduce batchCombine, an application of the metabCombiner framework for aligning experiments composed of multiple batches. metabCombiner is available as an R package on Github and Bioconductor, along with a new online version implemented as an R Shiny App.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics

The importance of data curation has been recognized in multiple areas of research; however, the discussion of this important issue is only beginning to emerge in materials science. In this Perspective, we highlight the benefits of using the standardized data curation protocols in materials science and discuss current gaps in accurate and reproducible data reporting using case studies drawn from high-impact materials science papers and well-known databases such as the Crystallography Open Database (COD) and the Cambridge Structural Database (CSD). We argue that both experimental and computational materials scientists need to embrace a culture of rigorous data curation as part of modern research data management. We propose a sample data curation pipeline for materials chemistry and illustrate its use by creating two new materials chemistry databases. Here, we hope that this perspective will serve to catalyze further discussion and promote the continuous development of rigorous data curation practices within the materials science research community. We posit that adherence to best practices of data curation will promote and enhance the reliability, reproducibility, and integrity of materials research and enable the development of reliable AI and machine learning models that critically depend on the use of quality data.

Chemical structure↗

NASA NTRSDate not supplied

Growth Curve Parameterization of Metabolic Activity of Yeast Cells for BioSentinel

The goal of the BioSentinel small satellite payload is to measure the effect of deep space radiation on the growth and metabolic activity of yeast cells. Raw test data is generated by fluidics cards containing yeast cells rehydrated at different periods, with metabolic activity measured by the reduction of alamarBlue. Each card well has a sensor array that measures the amount of red, green, and infrared light transmitted through the yeast culture. This illumination data is then converted to absorbance values, which are further converted into concentrations. The ultimate objective is to convert these concentrations into biologically-relevant metrics that can be compared against one another to determine changes due to differential radiation exposure. Beginning with IR absorbance data (corresponding to cell density) from ground studies, three parameters from a sigmoidal growth curve were extracted and analyzed: 𝜆 (lag phase), 𝜇 (max growth rate), and A (max cell growth). The data was fit to the Gompertz model of microbial growth using non-linear regression (Minitab), as the fit error was reduced compared to the simpler logistic growth curve. Graphs showed that the data contained a discrepancy (drift) in the lag phase that is attributable to a slow, constant loss of moisture. Correcting this discrepancy by fitting the first 25 hours of the data to a power function and subtracting these values from the absorbance readings obtained a better statistical fit to the growth curve in the lag phase. A power fit was selected over a linear fit because it reflected the effects of constant volume loss. This correction to the BioSentinel data analysis pipeline will enable quantitative statistical analysis of the effect of different levels of deep space radiation on yeast cells. Future work includes automation of drift correction and curve modeling to extract these parameters directly from data.

Growth Curve↗

DOE OSTI2024

Validating automated resonance evaluation with synthetic data

The integrity and precision of nuclear data are crucial for a broad spectrum of applications, from national security and nuclear reactor design to medical diagnostics, where the associated uncertainties can significantly impact outcomes. A substantial portion of uncertainty in nuclear data originates from the subjective biases in the evaluation process, a crucial phase in the nuclear data production pipeline. Recent advancements indicate that automation of certain routines can mitigate these biases, thereby standardizing the evaluation process and enhancing reproducibility. This research aims to provide a methodology, framework, and metrics for the validation of automated nuclear data evaluation software leveraging high-quality synthetic data that closely mimic real experimental observables. An introduced error metric provides a scale and intuitive measure of the evaluation quality by quantifying the estimate’s accuracy and performance across the specified energy range. Synthetic data provides access to experimental observables and underlying resonance parameters, enabling comparison of different evaluations. The methodology is demonstrated using Ta-181 isotope data in the resolved resonance region. The Automated Resonance Identification Subroutine (ARIS), which operates without prior resonance information, was used to test and showcase the framework’s capabilities utilizing the proposed error metrics. The results demonstrate the effectiveness of the proposed approach and framework for optimizing software parameters and testing hypotheses through “what-if” controlled experiments, such as modifying assumptions about experimental conditions or average resonance parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Guiding the choice of informatics software and tools for lipidomics research applications

Progress in mass spectrometry lipidomics has led to a rapid proliferation of studies across biology and biomedicine. These generate extremely large raw datasets requiring sophisticated solutions to support automated data processing. To address this, numerous software tools have been developed and tailored for specific tasks. However, for researchers, deciding which approach best suits their application relies on ad hoc testing, which is inefficient and time consuming. Here we first review the data processing pipeline, summarizing the scope of available tools. Next, to support researchers, LIPID MAPS provides an interactive online portal listing open-access tools with a graphical user interface. This guides users towards appropriate solutions within major areas in data processing, including (1) lipid-oriented databases, (2) mass spectrometry data repositories, (3) analysis of targeted lipidomics datasets, (4) lipid identification and (5) quantification from untargeted lipidomics datasets, (6) statistical analysis and visualization, and (7) data integration solutions. Detailed descriptions of functions and requirements are provided to guide customized data analysis workflows.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

GL4U: Bioinformatics training for students and educators using space omics data

Amanda Marie Saravia-butler↗

NASA NTRSDate not supplied

GL4U: Using Space Omics Data to Provide Bioinformatics Training for Students and Educators

NASA’s GeneLab project provides researchers open access to space-relevant experiment multi-omics data that can be mined to understand the effects of spaceflight on biological systems. To maximize the number of scientists who understand and utilize GeneLab data and data processing pipelines, GeneLab has created GeneLab for Colleges and Universities (GL4U). GL4U provides space biology-relevant training in bioinformatics to the next generation of scientists through direct and indirect approaches. The GeneLab team plans to host two annual data processing bootcamps, one for college-level students (direct) and one for college educators (indirect – training of trainers), in which participants learn to analyze GeneLab’s space-relevant omics data. The GL4U direct training pilot program was conducted in June 2021. During the pilot, students participated in a week-long bootcamp consisting of space biology-specific lectures and hands-on instruction using Jupyter Notebooks to analyze RNA sequence data. This pilot demonstrated the capacity of GL4U for training young scientists and encouraging data re-use. In June 2022, GL4U partnered with Jet Propulsion Laboratory’s (JPL) Planetary Protection Center of Excellence to conduct the indirect training pilot program by training educators at historically black colleges and universities (HBCUs) and minority serving institutions (MSIs). During the educator pilot, participants received materials, training, and will be provided the necessary compute resources to enable them to run the bootcamp at their home institutions or alternatively to adapt the content to implement within existing courses, thereby extending the reach of this initiative. The GL4U training program provides undergraduate students from underrepresented groups the opportunity to learn about NASA and Space Biology, and to enhance their career prospects by gaining hands-on experience analyzing omics data, a skillset that is highly applicable and marketable in the life sciences. Pre- and post-bootcamp surveys were completed by all participants and show the overwhelming success of the bootcamps.

Amanda M. Saravia-Butler↗