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DOE OSTI2023

Metabacillus indicus EGFCL74

Chromosomal DNA of bacterium isolated from fermented cider (originally named m74) was sequenced on an Illumina NovaSeq platform 2x150bp. Raw paired end reads were trimmed and processed with BBDUK v39.01. Trimmed FASTQ files were uploaded to the KBase narrative. Within KBase, the paired-end reads were assembled using SPAdes v3.15.3 (output data file m74_SPAdes.Assembly). Completeness was evaluated with CheckM v1.0.18. The assembled genome was annotated using RAStk v1.073 (output data file m74_RAStkgenomeassembly). Comparison of the isolate genome to other available genomes was performed two ways. The InsertGenomeIntoSpeciesTree function placed the isolate in the same clade as Bacillus indicus (later renamed Metabacillus indicus). FastANI was then used to compare the average nucleotide identity of isolate (m74) to 3 available strains of Metabacillus indicus (ASM70993v2, ASM70875v2, 4-1317).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

PMEL Passive Acoustics Research: Quantifying the Ocean Soundscape from Whales to Wave Energy

Passive acoustic monitoring of the global ocean has increased dramatically over the last decade, providing insights into seasonal sea ice and wind/wave variability, biodiversity, geophysical hazards, and anthropogenic noise impacts. All of these phenomena are sentinels of marine ecosystem health and ocean climate change. Recognizing the utility of underwater sound, the Pacific Marine Environmental Laboratory (PMEL) formed a passive acoustic research program with the goal of quantifying deep-ocean and coastal soundscapes in support of NOAA’s mission to conserve and manage marine ecosystems. PMEL Acoustics Program researchers have built a stable of novel ocean technologies, including autonomous stationary hydrophones, mobile platforms, and near-real-time surface buoys with satellite communication capability. These passive acoustic monitoring systems have been deployed in every major ocean basin on Earth, enabling significant advancements in understanding of natural and anthropogenic sounds. This progress includes evaluation of human-made sound levels across US waters, observations of ship noise fluctuations during the COVID-19 pandemic, and evaluation of noise levels from offshore wave-energy devices. Progress in natural sound research includes assessment of seasonal variability in the presence of endangered cetacean species due to population recovery and/or changing ocean temperatures as well as early detection of the collapse of an Antarctic ice shelf.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Results from the National Aeronautics and Space Administration remote sensing experiments in the New York Bight, 7-17 April 1975

A cooperative operation was conducted in the New York Bight to evaluate the role of remote sensing technology to monitor ocean dumping. Six NASA remote sensing experiments were flown on the C-54, U-2, and C-130 NASA aircraft, while NOAA obtained concurrent sea truth information using helicopters and surface platforms. The experiments included: (1) a Radiometer/Scatterometer (RADSCAT), (2) an Ocean Color Scanner (OCS), (3) a Multichannel Ocean Color Sensor (MOCS), (4) four Hasselblad cameras, (5) an Ebert spectrometer; and (6) a Reconafax IV infrared scanner and a Precision Radiation Thermometer (PRT-5). The results of these experiments relative to the use of remote sensors to detect, quantify, and determine the dispersion of pollutants dumped into the New York Bight are presented.

Hall, J. B., Jr.↗

NASA NTRS2001

A Parallel Multigrid Solver for Viscous Flows on Anisotropic Structured Grids

This paper presents an efficient parallel multigrid solver for speeding up the computation of a 3-D model that treats the flow of a viscous fluid over a flat plate. The main interest of this simulation lies in exhibiting some basic difficulties that prevent optimal multigrid efficiencies from being achieved. As the computing platform, we have used Coral, a Beowulf-class system based on Intel Pentium processors and equipped with GigaNet cLAN and switched Fast Ethernet networks. Our study not only examines the scalability of the solver but also includes a performance evaluation of Coral where the investigated solver has been used to compare several of its design choices, namely, the interconnection network (GigaNet versus switched Fast-Ethernet) and the node configuration (dual nodes versus single nodes). As a reference, the performance results have been compared with those obtained with the NAS-MG benchmark.

Prieto, Manuel↗

NASA NTRS2002

Use of Collocated KWAJEX Satellite, Aircraft, and Ground Measurements for Understanding Ambiguities in TRMM Radiometer Rain Profile Algorithm

Coordinated ground, aircraft, and satellite observations are analyzed from the 1999 TRMM Kwajalein Atoll field experiment (KWAJEX) to better understand the relationships between cloud microphysical processes and microwave radiation intensities in the context of physical evaluation of the Level 2 TRMM radiometer rain profile algorithm and uncertainties with its assumed microphysics-radiation relationships. This talk focuses on the results of a multi-dataset analysis based on measurements from KWAJEX surface, air, and satellite platforms to test the hypothesis that uncertainties in the passive microwave radiometer algorithm (TMI 2a12 in the nomenclature of TRMM) are systematically coupled and correlated with the magnitudes of deviation of the assumed 3-dimensional microphysical properties from observed microphysical properties. Re-stated, this study focuses on identifying the weaknesses in the operational TRMM 2a12 radiometer algorithm based on observed microphysics and radiation data in terms of over-simplifications used in its theoretical microphysical underpinnings. The analysis makes use of a common transform coordinate system derived from the measuring capabilities of the aircraft radiometer used to survey the experimental study area, i.e., the 4-channel AMPR radiometer flown on the NASA DC-8 aircraft. Normalized emission and scattering indices derived from radiometer brightness temperatures at the four measuring frequencies enable a 2-dimensional coordinate system that facilities compositing of Kwajalein S-band ground radar reflectivities, ARMAR Ku-band aircraft radar reflectivities, TMI spacecraft radiometer brightness temperatures, PR Ku-band spacecraft radar reflectivities, bulk microphysical parameters derived from the aircraft-mounted cloud microphysics laser probes (including liquid/ice water contents, effective liquid/ice hydrometeor radii, and effective liquid/ice hydrometeor variances), and rainrates derived from any of the individual ground, aircraft, or satellite algorithms applied to the radar or radiometer measurements, or their combination. The results support the study's underlying hypothesis, particularly in context of ice phase processes, in that the cloud regions where the 2a12 algorithm's microphysical database most misrepresents the microphysical conditions as determined by the laser probes, are where retrieved surface rainrates are most erroneous relative to other reference rainrates as determined by ground and aircraft radar. In reaching these conclusions, TMI and PR brightness temperatures and reflectivities have been synthesized from the aircraft AMPR and ARMAR measurements with the analysis conducted in a composite framework to eliminate measurement noise associated with the case study approach and single element volumes obfuscated by heterogeneous beam filling effects. In diagnosing the performance of the 2a12 algorithm, weaknesses have been found in the cloud-radiation database used to provide microphysical guidance to the algorithm for upper cloud ice microphysics. It is also necessary to adjust a fractional convective rainfall factor within the algorithm somewhat arbitrarily to achieve satisfactory algorithm accuracy.

Smith, Eric A.↗

NASA NTRS2007

Applications and Results of MODIS Lunar Observations

Both Terra and Aqua MODIS have been making periodic lunar observations since their launch in December 1999 and May 2002, respectively. The primary objective of the MODIS lunar observations is to monitor on-orbit response changes for the reflective solar bands (RSB) and to track long-term radiometric calibration stability. The Moon is an extremely stable surface reflectance reference and, together with the lunar radiometric model developed recently by the US Geological Survey (USGS), the applications of lunar observations for Earth remote sensing missions have been greatly enhanced and expanded. In particular, calibration inter-comparisons among sensors on different platforms and operated in different time frames have been enabled in the VIS/NIR/SWIR spectral regions. In this paper, we discuss various applications of MODIS lunar observations, such as monitoring the RSB radiometric stability and calibration consistency between the two sensors, evaluating the calibration differences among detectors within the same spectral band, and tracking the on-orbit changes of band-to-band registration (BBR). Other applications designed for the thermal emissive bands (TEB) and special sensor characterization purposes are also illustrated. Results from multi-year Terra and Aqua MODIS lunar observations demonstrate clearly that the two sensors have been calibrated consistently to within 1% for most RSB compared to the 2% radiometric calibration requirement. In addition the spatial characterization results derived from lunar observations are in good agreement with those derived from the instrument's on-board calibrator. The applications and results of MODIS lunar observations presented in this paper provide useful references for other sensors that also make use of lunar surface observations.

Xiong, X.↗

NASA NTRS2009

Suit Port Aft Bulkhead Mockup Test Results and Lessons Learned

The Small Pressurized Rover (SPR) is currently being carried as an integral part of the current Lunar Surface Architectures under consideration in the Constellation program. One element of the SPR is the suit port, the means by which the crew performs Extravehicular Activities (EVAs). Two suit port deliverables were produced in fiscal year 2008: an aft bulkhead mockup for functional integrated testing with the 1-G SPR mockup and a functional and pressurizable engineering unit. This paper focuses on the test results and lessons learned on the aft bulkhead mockup. The suit port aft bulkhead mockup was integrated with the mockup of the SPR cabin and chassis. It is located on the aft bulkhead of the SPR cabin structure and includes hatches, a locking mechanism, seals, interior and exterior suit don/doff aids, and exterior platforms to accommodate different crewmember heights. A lightweight mockup of the Mark III suit was tested with the suit port aft bulkhead mockup. There are several limitations to the suit port and mockup suits, and results of the suit port evaluation are presented and interpreted within the context of the limitations.

Romig, Barbara A.↗

NASA NTRS2009

Suit Port Aft Bulkhead Mockup 2008 Test Results

The Lunar Electric Rover (LER), formerly called the Small Pressurized Rover (SPR), is currently being carried as an integral part of the current Lunar Surface Architectures under consideration in the Constellation program. One element of the LER is the suit port, the means by which the crew performs Extravehicular Activities (EVAs). Two suit port deliverables were produced in fiscal year 2008: an aft bulkhead mockup for functional integrated testing with the 1-G LER mockup and a functional and pressurizable Engineering Unit (EU). This paper focuses on the aft bulkhead mockup test results from Desert Research and Technology Studies (D-RATS) October 2008 testing at Black Point Lava Flow (BPLF), Arizona. Refer to 39th International Conference on Environmental Systems (ICES) for test results of the EU. The suit port aft bulkhead mockup was integrated with the mockup of the LER cabin and chassis. It is located on the aft bulkhead of the LER cabin structure and includes hatches, a locking mechanism, seals, interior and exterior suit don/doff aids, and exterior platforms to accommodate different crewmember heights. A lightweight mockup of the Mark III suit was tested with the suit port aft bulkhead mockup. There are several limitations to the suit port and mockup suits, and results of the suit port evaluation are presented and interpreted within the context of the limitations.

Romig, Barbara A.↗

NASA NTRS2008

Reconfigurable HIL Testing of Earth Satellites

In recent years, hardware-in-the-loop (HIL) testing has carved a strong niche in several industries, such as automotive, aerospace, telecomm, and consumer electronics. As desktop computers have realized gains in speed, memory size, and data storage capacity, hardware/software platforms have evolved into high performance, deterministic HIL platforms, capable of hosting the most demanding applications for testing components and subsystems. Using simulation software to emulate the digital and analog I/O signals of system components, engineers of all disciplines can now test new systems in realistic environments to evaluate their function and performance prior to field deployment. Within the Aerospace industry, space-borne satellite systems are arguably some of the most demanding in terms of their requirement for custom engineering and testing. Typically, spacecraft are built one or few at a time to fulfill a space science or defense mission. In contrast to other industries that can amortize the cost of HIL systems over thousands, even millions of units, spacecraft HIL systems have been built as one-of-a-kind solutions, expensive in terms of schedule, cost, and risk, to assure satellite and spacecraft systems reliability. The focus of this paper is to present a new approach to HIL testing for spacecraft systems that takes advantage of a highly flexible hardware/software architecture based on National Instruments PXI reconfigurable hardware and virtual instruments developed using LabVIEW. This new approach to HIL is based on a multistage/multimode spacecraft bus emulation development model called Reconfigurable Hardware In-the-Loop or RHIL.

Source record↗

DOE OSTI2018

Hanford Under-tank Inspection with Ultrasonic Volumetric Non-destructive Examination Technology - 18470

The U.S. Department of Energy (DOE) and the Hanford Site Tank Operations Contractor Washington River Protection Solutions, LLC (WRPS) are sponsoring a non-destructive evaluation (NDE) technology development program to identify and mature volumetric (non-visual) NDE technology that will enable the examination of Hanford double-shell tank (DST) bottoms. NDE technology for Hanford under-tank examination will be made possible through technology maturation that includes adaptation of NDE sensor technology to overcome access challenges presented by tank risers and refractory pad air-slots, followed by integration with robotic delivery systems, and ultimately qualification and deployment of the inspection systems. The stages of technology maturation and the testing and evaluation required to support the process are organized under three program phases: Phase I - NDE Capability Testing: Identify and down-select NDE technologies based on flaw detection and characterization abilities only; Phase 2 - NDE Delivery System Testing: Mature promising NDE technologies to adapt transducer hardware and robotic delivery system to address access challenges; Phase 3 - Full-scale Demonstration of Integrated NDE System: Demonstrate adapted NDE technologies in a cold test platform to challenge flaw detection and navigation abilities. Phase I of the program, which was initiated and completed in FY2017, focused on completing the following five key activities: 1. Identifying a broad cross section of potentially applicable NDE volumetric inspection technologies for under-tank examination. 2. Down-selecting the broad set of NDE technologies to a set of strong candidates based on initial flaw detection performance and potential to be adapted/matured to overcome primary tank access challenges posed by access risers and/or refractory pad air-slots. 3. Evaluating the flaw detection performance of the candidate sensors through testing. 4. Using the test results to baseline sensor performance against the flaw detection requirements established for high-level waste tanks. 5. Assessing the trade-offs and vulnerabilities of the candidate sensors that would negatively impact sensor performance reliability or complicate tank inspection operations. The completion of the first three key activities satisfied the first two Phase I test objectives, which were to complete Technology Screening and Sensor Effectiveness Testing. Completion of the fourth key activity satisfied the final test objective of Phase I, which was to determine the extent to which the sensors can satisfy high-level waste tank flaw detection requirements. Sensor flaw detection performance testing yielded several suitable sensor technology options, although each has specific risks or challenges that would need to be accepted or overcome. Thus, the fifth key activity was performed to evaluate sensor risks and challenges for consideration with flaw detection performance. The Phase I evaluation outcomes will be used to support the Phase I programmatic objective, which is to identify one or more NDE sensor technologies for adaptation and maturation for the DST environment. Selection of one or more sensors will mark the culmination of Phase I of the NDE Technology Development Program and allow progression to Phase II.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Sensitive and Selective NH3 Monitoring at Room Temperature Using ZnO Ceramic Nanofibers Decorated with Poly(styrene sulfonate)

Ammonia (NH3) gas is a prominent air pollutant that is frequently found in industrial and livestock production environments. Due to the importance in controlling pollution and protecting public health, the development of new platforms for sensing NH3 at room temperature has attracted great attention. In this study, a sensitive NH3 gas device with enhanced selectivity is developed based on zinc oxide nanofibers (ZnO NFs) decorated with poly(styrene sulfonate) (PSS) and operated at room temperature. ZnO NFs were prepared by electrospinning followed by calcination at 500 °C for 3 h. The electrospun ZnO NFs are characterized to evaluate the properties of the as-prepared sensing materials. The loading of PSS to prepare ZnO NFs/PSS composite is also optimized based on the best sensing performance. Under the optimal composition, ZnO NFs/PSS displays rapid, reversible, and sensitive response upon NH3 exposure at room temperature. The device shows a dynamic linear range up to 100 ppm and a limit of detection of 3.22 ppm and enhanced selectivity toward NH3 in synthetic air, against NO2 and CO, compared to pure ZnO NFs. Additionally, a sensing mechanism is proposed to illustrate the sensing performance using ZnO NFs/PSS composite. Therefore, this study provides a simple methodology to design a sensitive platform for NH3 monitoring at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Extraction of auxiliary data from AVIRIS distribution tape for spectral, radiometric, and geometric quality assessment

Remotely sensed data are affected by system (sensor and platform), and scene related effects. For quantitative investigations the spectral, radiometric characteristics of the system and scene have to be known. The relevant effects and their possible influence on an image have to be specifically determined for every remote sensing system and adequate description parameters need to be updated and reported on a regular basis as they are carried out, e.g., for the AVIRIS system. It is evident that the strength of the influence of similar effects in very dependent on the accessibility of auxiliary information about such sensor systems. Degradation in a spaceborne system can normally be just reported and cannot be corrected. In contrast, an airborne sensor can be evaluated, maintained and improved periodically. Such maintenance efforts are particularly important because airborne systems are exposed to extreme and changing environments. These include tens of takeoffs and landing each year as well as extreme changes in temperature and humidity on the tarmac and in flight. For the AVIRIS system there are environmental stresses such as changes in temperature, air pressure, humidity, vibration of the platform or scene-related reasons like atmospheric conditions, and topography. The information contained in the auxiliary files included with the AVIRIS data can be used to assess these effects and compensate for them. In addition the spectral, radiometer and geometric calibration data contained in the auxiliary file are required for quantitative analysis of the data. The paper describes tools to access the auxiliary information that characterizes the AVIRIS system. These tools allow the examination of parameters that may impact the quality of the measured AVIRIS image. An example of the use of this auxiliary data was carried out with regard to a parametric geocoding approach. Emphasis is placed on the reported auxiliary information that describes the geometric character of the AVIRIS data in 1991. Results are presented using data from the AVIRIS flight #910705, run 6 and 7 of the NASA MAC Europe 1991 campaign in a test site in Central Switzerland.

Meyer, Peter↗

DOE OSTI2021

Evaluation of Hands-On Cybersecurity Skills Development

Cybersecurity is a relatively new and quickly advancing industry, though there is a deficit in industry professionals throughout the world. This deficit is a result of the inability of education to keep up with the continuously changing cyber-threat landscape. A lack of effective, accessible, hands-on training platforms is a barrier for students and professionals who seek to gain the skills and abilities necessary to enter the workforce. Additionally, the lack of adequate training makes it difficult for industry experts to upskill or stay up to date on new advancements within the field of cybersecurity. The goal of this cohort is to discover what makes an effective or ineffective training platform, what platforms are currently available, and to determine the next steps for hands-on learning. Hands-on experience is necessary to create workforce ready professionals, yet it is underutilized by students and professionals of cybersecurity due to costs, availability, and ease of use. This cohort has uncovered hands-on training solutions, identified many effective training solutions, and explored potential improvement to cybersecurity training. These findings resulted in the cohort moving beyond research to test the resources that currently exist or are in development, and to apply that knowledge to discovering and developing engaging hands-on training.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2001

Terrestrial Environmental Variables Derived From EOS Platform Sensors

The three main objectives of the overall project were: 1. Adaptation of environmental constraint methods to take advantage of EOS sensors, specifically, MODIS, ASTER, and Landsat-7, in addition to the PM AVHRR observations 2. Refinement of environmental constraint methods based on fundamental scientific knowledge. 3. Assessment of spatial scaling patterns in environmental constraint measurements to evaluate the potential biases and errors that occur when estimating regional and global-scale NPP patterns with moderate to coarse satellite observations. These goals were modified because, on one hand, MODIS data did not become available until after the first year of the project and because of project staffing issues at the University of Maryland., The OSU portion of the project contained a modest amount of funding and responsibility compared to the University of Maryland and the University of Toledo.

Stadler, Stephen J.↗

NASA NTRS2018

Hollow Cathode Thermal Modelling and Self-Consistent Plasma Solution: Work Function Evaluation for a LaB6 Cathode.

Self-heating hollow cathodes are central components in modern electric thrusters. The plasma discharge inside these devices heats the internal components, thus maintaining the temperatures required for electron emission. Precise knowledge of the physical phenomena governing hollow cathode operation is key to predict their lifetime, speciﬁcally, their thermionic emission characteristics. A simulation platform has been built to couple plasma and thermal models of the self-heating hollow cathode to produce a self-consistent solution. A self-consistent solution has been found for a LaB6 hollow cathode operating at 25A and 13 sccm where the work function is assumed to be spatially uniform along the emitter with a value which is allowed to vary as the coupled model iterates to a self-consistent solution. The emitter temperature from the converged solution does not agree with experimental temperature measurements, however. The results of a sensitivity analysis suggest that none of the tolerances in the measurement are responsible for the discrepancy. We hypothesize that either the work function needs to be a function of position along the emitting surfaces or the heat ﬂuxes have been overestimated in the plasma solver.

Meiron, Daniel I.↗

NASA NTRS2016

B33C-0612: Evaluation of Simulated Biospheric Carbon Dioxide Fluxes and Atmospheric Concentrations Using Global in Situ Observations

Atmospheric mixing ratios of carbon dioxide (CO2) are largely controlled by anthropogenic emission sources and biospheric sources/sinks. Global biospheric fluxes of CO2 are controlled by complex processes facilitating the exchange of carbon between terrestrial ecosystems and the atmosphere. These processes which play a key role in these terrestrial ecosystem-atmosphere carbon exchanges are currently not fully understood, resulting in large uncertainties in the quantification of biospheric CO2 fluxes. Current models with these inherent deficiencies have difficulties simulating the global carbon cycle with high accuracy. We are developing a new modeling platform, GEOS-Chem-CASA by integrating the year-specific NASA-CASA (National Aeronautics and Space Administration - Carnegie Ames Stanford Approach) biosphere model with the GEOS-Chem (Goddard Earth Observation System-Chemistry) chemical transport model to improve the simulation of atmosphere-terrestrial ecosystem carbon exchange. We use NASA-CASA to explicitly represent the exchange of CO2 between terrestrial ecosystem and atmosphere by replacing the baseline GEOS-Chem land net CO2 flux and forest biomass burning CO2 emissions. We will present the estimation and evaluation of these "bottom-up" land CO2 fluxes, simulated atmospheric mixing ratios, and forest disturbance changes over the last decade. In addition, we will present our initial comparison of atmospheric column-mean dry air mole fraction of CO2 predicted by the model and those retrieved from NASA's OCO-2 (Orbiting Carbon Observatory-2) satellite instrument and model-predicted surface CO2 mixing ratios with global in situ observations. This evaluation is the first step necessary for our future work planned to constrain the estimates of biospheric carbon fluxes through "top-down" inverse modeling, which will improve our understanding of the processes controlling atmosphere-terrestrial ecosystem greenhouse gas exchanges, especially over regions which lack in situ observations.

in situ observations↗

NASA NTRSDate not supplied

Joint ESA-NASA Multi-Mission Algorithm and Analysis Platform (MAAP)

The scientific community is faced with a need for greatly improved data sharing, analysis, visualization and advanced collaboration based firmly on open science principles. Recent and upcoming launches of new satellite missions with more complex and voluminous data, as well as the ever more urgent need to better understand the global carbon budget and related ecological processes, provided the immediate rational for the ESA-NASA Multi-mission Algorithm and Analysis Platform (MAAP). This highly collaborative joint project of ESA and NASA established a framework between ESA and NASA to share data, science algorithms and compute resources in order to foster and accelerate scientific research conducted by ESA and NASA EO data users. Presented to the public in October 2021, the current version of MAAP provides a common cloud-based platform with computing capabilities co-located with the data, a collaborative coding and analysis environment, and a set of interoperable tools and algorithms developed to support the estimation and visualization of global above-ground biomass. Data from the Global Ecosystem Dynamics Investigation (GEDI) mission on the International Space Station and the Ice, Cloud, and Land Elevation Satellite-2 (ICESat-2) have been instrumental in the first products of MAAP including the first comprehensive map of Boreal above-ground Biomass and a current Global Biomass Harmonization Activity, but the platform is also being specifically designed to support the forthcoming ESA Biomass mission and incorporate data from the upcoming NASA-ISRO SAR (NISAR) mission. While these missions and the corresponding research which includes airborne, field, and calibration/validation data collection and analyses, provide a wealth of data and information relating to global biomass estimation, they also present data storing, processing and sharing challenges. The NISAR mission alone will produce about 80TB/day. These large data volumes present a challenge that would otherwise place accessibility limits on the scientific community and impact scientific progress. Other challenges being addressed by MAAP include: 1) Enabling researchers to easily discover, process, visualize and analyze large volumes of data from both agencies; 2) Providing a wide variety of data in the same coordinate reference frame to enable comparison, analysis, data evaluation, and data generation; 3) Providing a version-controlled science algorithm development environment that supports tools, co-located data and processing resources; and 4) Addressing intellectual property and sharing challenges related to collaborative algorithm development and sharing of data and algorithms. MAAP products can be explored on the MAAP Dashboard at https://earthdata.nasa.gov/maap-biomass or the joint platform entrance at scimaap.net. MAAP also can be accessed through individual NASA (https://maap-project.org) and ESA (https://esa-maap.org/) landing pages.

cloud computing↗

DOE OSTI2019

High-Resolution Mass Spectrometry Quantification: Impact of Differences in Data Processing of Centroid and Continuum Data

High-resolution mass spectrometry (HRMS) in full scan mode acquires all ions present in the sample of interest offering a lot of qualitative information. This, in combination with the improved performance of the new generation HRMS systems, triggers more (bio) analysts to switch from triple quad MS systems to HRMS for quantitative analysis. Quantitative processing of HRMS data is performed based on narrow mass extraction windows rather than on nominal mass product ion chromatograms (SRM or MRM). Optimal processing of HRMS data requires different considerations and software tools and can have an impact on data processing and final results. The selection of centroid versus continuum/profile data for processing, selection of the optimal narrow mass extraction window, using theoretical versus measured accurate mass for the extraction of the ion chromatograms as well as differences in calculations and data handling residing in the different vendor software packages are tackled in the presented manuscript. These differences are illustrated on HRMS data acquired for the same plasma samples on three different platforms, i.e., a Sciex QToF, a Waters QToF, and a Thermo Orbitrap system, and processed in four different software packages, i.e., Sciex Analyst® TF, Waters Masslynx, Waters Unifi, and Thermo Xcalibur. The impact of these differences on quantitative HRMS performance was evaluated on calibration curves of eight small molecule compounds in plasma using four different ways of processing. Simple guidelines are provided for the selection of an optimal mass extraction window for continuum and centroided data. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗