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DOE OSTI2023

An introduction to the significance of sample size in particle analyses for nuclear forensics and radiological investigations

Particulate isotopic analysis in nuclear forensics has developed rapidly during the past two decades due to technical advances in determining the isotopic composition of individual particles. This paper introduces basic statistical concepts that can be applied by analysts to understand the importance of statistical adequacy when interpretating particle data. While these basic statistical methods provide a useful point-of-entry to particle data analysis, more sophisticated statistical and modeling approaches are needed to extract maximal information from such datasets in the future.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2023

Automated detection of double nuclei galaxies using GOTHIC and the discovery of a large sample of dual AGN

We present a novel algorithm to detect double nuclei galaxies (DNG) called Gothic (Graph-bOosTed iterated HIll Climbing) – that detects whether a given image of a galaxy has two or more closely separated nuclei. Our aim is to test for the presence of dual/multiple active galactic nuclei (AGN) in galaxies that visually represent a DNG. Although galaxy mergers are common, the detection of dual AGN is rare. Their detection is very important as they help us understand the formation of supermassive black hole (SMBH) binaries, SMBH growth and AGN feedback effects in multiple nuclei systems. There is thus a need for an algorithm to do a systematic survey of existing imaging data for the discovery of DNGs and dual AGNs. We have tested Gothic on an established sample of DNGs with a 100 per cent detection rate and subsequently conducted a blind search of 1 million SDSS DR16 galaxies (with spectroscopic data available) lying in the redshift range of z = 0 to 0.75. From the list of candidate DNGs found, we have detected 159 dual AGNs, of which 2 are triple AGN systems. Our results show that dual AGNs are not common, and triple AGN even rarer. The colour (u–r) magnitude plots of the DNGs indicate that star formation is quenched as the nuclei come closer and as the AGN fraction increases. The quenching is especially prominent for dual/triple AGN galaxies that lie at the extreme end of the red sequence.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

The GMRT archive atomic gas survey – II. Mass modelling and dark matter halo properties across late-type spirals

Studying the kinematics and mass modelling of galaxies from H i 21 cm data provides valuable insights into the properties of both the baryonic components and the dark matter halo in nearby galaxies. Despite many observational studies, mass modelling of galaxies remains challenging due to different limitations. For example, most of the previous studies involving mass modelling are based on rotation curves derived from 2D velocity fields from H i or H α spectroscopic observation which are often affected by beam smearing and projection effect. However, kinematic modelling done by fitting the ‘Tilted ring model’ to 3D data cube is not affected by these issues. In this study, we present and compare 3D kinematic modelling of a pilot sample of 11 galaxies from the GMRT archive atomic gas survey (GARCIA) using two different publicly available pipelines. We model the observed H i rotation curve using 3.6-μm infrared data and SDSS r-band data for stellar contribution, H i surface density profile for gas, and Navarro–Frenk–White profile for dark matter halo; and employ the Markov chain Monte Carlo optimization method for parameter estimation. Further, to validate our analysis, we revisit important scaling relations, e.g. the M gas –M star relation, M star –M halo relation, M gas –M halo relation and Baryonic Tully–Fisher relation. Here, the scaling relations from our analysis are broadly consistent with that reported in the literature. A larger sample of galaxies from GARCIA in the near future will allow studying these scaling relations in greater details.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2002

Combustion Synthesis of Fullerenes and Fullerenic Nanostructures In Microgravity

The objectives of the proposed research were to determine the effects of gravity on fullerenes formation in flames and, based on the observed effects, to develop fundamental understanding of fullerenes formation and to identify engineering principles for fullerenes production. The research method consisted of the operation of laminar diffusion flames under normal- and reduced-gravity conditions, and the collection from the flames and subsequent analysis of condensables including any fullerenes present, using coupled high performance liquid chromatography/mass spectrometry and high resolution transmission electron microscopy. The focus included fullerene molecules C60 and C70 and fullerenic nanostructures including tubes, spherules and other shapes. The normal-gravity experiments were performed at MIT and complementary reduced-gravity experiments were to have been contributed by NASA. The independent variables of interest are gravity, fuel type, fuel/oxygen ratio, pressure, gas velocity at burner, diluent type and concentration. Given the large number of variables and the absence of data on either fullerene formation in diffusion flames or gravitational effects on fullerene formation in diffusion or premixed flames, the first part of the work was exploratory while the later part involved detailed study of the most interesting mechanisms. Samples of condensable material from laminar low pressure benzene/argon/oxygen diffusion flames were collected and analyzed by high-performance liquid chromatography to determine the yields of fullerenes, and by high-resolution transmission electron microscopy (HRTEM) to characterize the fullerenic material, i.e., curved-layer nanostructures, on and within the soot particles. The highest concentration of fullerenes was always detected just above the visible stoichiometric surface of a flame. The percentage of fullerenes in the condensable material increases with decreasing pressure. The overall highest amount of fullerenes was found for a surprisingly high dilution fuel with argon. The maximum flame temperature seems to be of minor importance in fullerene formation. The HRTEM analysis of the soot showed an increase of the curvature of the carbon layers, and hence increased fullerenic character. After this maximum, the curvature decreases. In addition to the soot, the samples included fullerenic nanostructures, such as tubes and spheroids including highly-ordered multilayered or onion-like structures. The soot itself shows highly ordered regions that appear to have been cells of ongoing fullerenic nanostructure formation.

Howard, Jack B.↗

NASA NTRS2013

Mars Sample Return Using Commercial Capabilities: Mission Architecture Overview

Mars Sample Return (MSR) is the highest priority science mission for the next decade as recommended by the recent Decadal Survey of Planetary Science. This paper presents an overview of a feasibility study for a MSR mission. The objective of the study was to determine whether emerging commercial capabilities can be used to reduce the number of mission systems and launches required to return the samples, with the goal of reducing mission cost. The major element required for the MSR mission are described and include an integration of the emerging commercial capabilities with small spacecraft design techniques; new utilizations of traditional aerospace technologies; and recent technological developments. We report the feasibility of a complete and closed MSR mission design using the following scenario that covers three synodic launch opportunities, beginning with the 2022 opportunity: A Falcon Heavy injects a SpaceX Red Dragon capsule and trunk onto a Trans Mars Injection (TMI) trajectory. The capsule is modified to carry all the hardware needed to return samples collected on Mars including a Mars Ascent Vehicle (MAV); an Earth Return Vehicle (ERV); and hardware to transfer a sample collected in a previously landed rover mission to the ERV. The Red Dragon descends to land on the surface of Mars using Supersonic Retro Propulsion (SRP). After previously collected samples are transferred to the ERV, the single-stage MAV launches the ERV from the surface of Mars to a Mars phasing orbit. The MAV uses a storable liquid, pump fed bi-propellant propulsion system. After a brief phasing period, the ERV, which also uses a storable bi-propellant system, performs a Trans Earth Injection (TEI) burn. Once near Earth the ERV performs Earth and lunar swing-bys and is placed into a Lunar Trailing Orbit (LTO0 - an Earth orbit, at lunar distance. A later mission, using a Dragon and launched by a Falcon Heavy, performs a rendezvous with the ERV in the lunar trailing orbit, retrieves the sample container and breaks the chain of contact with Mars by transferring the sample into a sterile and secure container. With the sample contained, the retrieving spacecraft, makes a controlled Earth re-entry preventing any unintended release of pristine Martian materials into the Earth's biosphere. Other capsule type vehicles and associated launchers may be applicable. The analysis methods employed standard and specialized aerospace engineering tools. Mission system elements were analyzed with either direct techniques or by using parametric mass estimating relationships (MERs). The architecture was iterated until overall mission convergence was achieved on at least one path. Subsystems analyzed in this study include support structures, power system, nose fairing, thermal insulation, actuation devices, MAV exhaust venting, and GN&C. Best practice application of loads, mass growth contingencies, and resource margins were used. For Falcon Heavy capabilities and Dragon subsystems we utilized publically available data from SpaceX; published analyses from other sources; as well as our own engineering and aerodynamic estimates. Earth Launch mass is under 11 mt, which is within the estimated capability of a Falcon Heavy, with margin. Total entry masses between 7 and 10 mt were considered with closure occurring between 9 and 10 mt. Propellant mass fractions for each major phase of the EDL - Entry, Terminal Descent, and Hazard Avoidance - have been derived. An assessment of the entry conditions on the thermal protection system (TPS), currently in use for Dragon missions, has been made. And shows no significant stressors. A useful mass of 2.0 mt is provided and includes mass growth allowances for the MAV, the ERV, and mission unique equipment. We also report on alternate propellant options for the MAV and options for the ERV, including propulsion systems; crewed versus robotic retrieval mission; as well as direct Earth entry. International Planetary Protection Policies as well as verifiable means of compliance will have a large impact on any MSR mission design. We identify areas within our architecture where such impacts occur. This work shows that emerging commercial capabilities can be used to effectively integrated into a mission to achieve an important planetary science objective.

Mars Sample Return↗

DOE OSTI2020

Introduction to Metadata and Ontologies: Everything You Always Wanted to Know About Metadata and Ontologies (But Were Afraid to Ask)

Metadata are contextual data about your experimental data. Metadata are the who, what, when, where, and why of these data. Metadata puts these data into context. In microbiome research, metadata includes information about the sample: when it was collected, where it was collected from, what kind of sample it is, and what were the properties of the environment or experimental condition from which the sample was taken. Information about sample processing is also metadata: methods used to extract and purify molecules (e.g., DNA) from the sample, type of DNA sequencing or other ’omics analyses done, and where the raw experimental data are located. This documentation includes information on the following topics: What are metadata? What kinds of metadata are there? Why are metadata important? Why should metadata be standardized? Why should metadata be machine readable? What is an ontology? Why are ontologies important? What are some examples of ontologies? The documentation also includes further resources on metadata guides and tools and tips for formatting metadata for maximum utility.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

Squeezing Every Last 'Bit' of Information from Enceladus Mass Spectrometry

Potential opportunities to return to Enceladus in Discovery and Flagship class missions inspire development of next-generation instruments and creative approaches to sample collection, sample analysis, and data analysis and transmission strategies. Mass spectrometers (MS) are ideally suited to future Enceladus missions due to their analytical power in identifying a range of molecular and ionic compositions – including complex organics – and potentially astrobiologically-important features such as isotope ratios, chirality, and enantiomeric excess. However, long communication delays from Enceladus and limited bandwidth limits the data transmission from these higher-data-volume instruments, likely delaying mission-related response to new data. We explore the utility of data science and machine learning (ML) on isotope ratio (IR)MS data collected from laboratory analogs of Enceladus to: 1) process data quickly for rapid ground-based analyses, 2) understand if compositional and biosignature information could be extracted from IRMS data, and 3) evaluate whether onboard ML techniques could improve sample analysis, cadence, and transmission prioritization. Laboratory analogs analyzed isotopes of volatile CO2 that interacted with seawaters of varying composition, and include both abiotic and biotic (microbially-influenced) experiments. Enceladus’s alkaline oceans promote speciation of carbon into multiple forms (e.g., H2CO3 / CO2, HCO3-, and CO32-), each of which could be isotopically fractionated by abiotic or biotic reactions. Large (>2‰) changes in carbon isotopes (δ13C) are observed from some biotic experiments inoculated with complex microbial ecosystems relative to the abiotic seawaters. ML training and classification suggests that microbial samples can be distinguished from abiotic samples, yet that a broad range of microbial experiments are necessary to train ML models to cover a range of complexities including disequilibria, and isotopic and compositional fractionation.

geochemistry↗

NASA NTRS2006

Mineralogy of nakhlite Martian meteorites: Implications for their relative burial depths

Nakhlites are Martian cumulate rocks mainly composed of augite with variable amounts of olivine and groundmass (mesostasis). Currently seven samples are known: Nakhla (Nak), Governador Valadares (GV), Lafayette (Laf), NWA817, Y000593 (Y), NWA998 and MIL03346 (MIL). All the nakhlites show a similar unbrecciated cumulate texture, and their identical crystallization and exposure ages suggest that they originated from the same igneous body on Mars and were ejected by the same impact event. It is important to study difference of their mineralogy to reconstruct the igneous body from which nakhlites originated. Augite grains in all nakhlites have a nearly identical core composition (En39Fs22Wo39) and have thin Fe-rich rims. These Fe-rich rims are zoned to Ca-poor pyroxene compositions and the degree of chemical zoning varies from one sample to another. NWA998 has the most Mg-rich edge composition. The edge composition becomes more Fe-rich in the order of Laf, Nak/GV, Y and NWA817. Unlike other samples, the Fe-rich edge of MIL augite is zoned to the hedenbergite composition. Olivine grains in all samples except Laf and NWA998 show extensive chemical zoning whose degree is clearly related to the chemical zoning of pyroxenes. MIL and NWA817 have the widest compositional ranges (Fa54-93). Y has a slightly narrower compositional range of Fa58-85. Nak and GV have even narrower ranges (Fa58-72). In contrast to these samples, olivines in Laf and NWA998 are homogeneous (Fa66-67 and Fa61-62, respectively). Such chemical zoning (Fa and Ca) can be used to quantitatively estimate their cooling rates (burial depths) because it was clearly formed by interaction with the intercumulus melt. The obtained burial depths are 1-2 m for NWA817, 4 m for MIL, 7 m for Y, approx.10 m for Nak and GV, and >30 m for Laf and NWA998. This order is clearly related to the degree of pyroxene chemical zoning. The abundance and mineralogy of nakhlite groundmass are also consistent with this order. In Nak, GV and Laf, the groundmass abundance is about 7-8%. Y and NWA998 have a slightly higher abundance (10%), while NWA817 and MIL have much higher abundance (20-24%). The groundmass texture is also related to its abundance. The groundmass of Nak, GV, Laf and Y is mainly composed of feldspar laths. In contrast, NWA817 and MIL have glassy mesostasis without feldspar crystals. In NWA998, feldspar is a large blocky crystal with clear twinning, suggesting that it is even deeper than Laf.

Mikouchi, T.↗

DOE OSTI2023

Evaluation of the relative importance of preheat from hohlraum x rays and a radiative shock on a low-density foam

Indirectly driven shock-tube experiments were performed on the Omega Laser Facility to evaluate the relative importance of hohlraum x ray and radiative shock preheat sources on a low-density foam. X rays emitted from the hohlraum and a subsequent shock wave are channeled into a low-density foam sample, which contains a plastic preheat-witness disk placed downstream of the foam. Simultaneous radiographic measurements of the shock speed in the foam and the expansion rate of the witness disk due to preheat allow for the observation of effects from the hohlraum's low-energy and high-energy x-ray spectrum. Here we showed, from simulations, that low-energy x rays from the hohlraum are preferentially absorbed near the ablator surface (where the hohlraum and the shock tube meet), while higher-energy x rays largely pass through the ablator and foam and are volumetrically absorbed by the witness disk. Reproducing the experimentally measured shock speed and expansion of the witness disk simultaneously, we extracted the temperature evolution of preheated foam from the simulation and evaluated the relative importance of preheat sources on a low-density foam from hohlraum x-ray radiation and radiative shock. We found that radiation from the shock front was more effective at preheating the low-density foam than the high-energy x rays from the hohlraum. This shock-tube preheat experiment is important for understanding the results of the MARBLE experiments at the National Ignition Facility because initial conditions of foam-filled MARBLE capsules are sensitive to preheat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Oxygen isotope ratios in zircon and garnet: A record of assimilation and fractional crystallization in the Dinkey Dome peraluminous granite, Sierra Nevada, California

Abstract The 119 Ma Dinkey Dome pluton in the central Sierra Nevada Batholith is a peraluminous granite and contains magmatic garnet and zircon that are complexly zoned with respect to oxygen isotope ratios. Intracrystalline SIMS analysis tests the relative importance of magmatic differentiation processes vs. partial melting of metasedimentary rocks. Whereas δ18O values of bulk zircon concentrates are uniform across the entire pluton (7.7‰ VSMOW), zircon crystals are zoned in δ18O by up to 1.8‰, and when compared to late garnet, show evidence of changing magma chemistry during multiple interactions of the magma with wall rock during crustal transit. The evolution from an early high-δ18O magma [δ18O(WR) = 9.8‰] toward lower values is shown by high-δ18O zircon cores (7.8‰) and lower δ 18O rims (6.8‰). Garnets from the northwest side of the pluton show a final increase in δ18O with rims reaching 8.1‰. In situ REE measurements show zircon is magmatic and grew before garnets. Additionally, δ18O in garnets from the western side of the pluton are consistently higher (avg = 7.3‰) relative to the west (avg = 5.9‰). These δ18O variations in zircon and garnet record different stages of assimilation and fractional crystallization whereby an initially high-δ18O magma partially melted low-δ18O wallrock and was subsequently contaminated near the current level of emplacement by higher δ18O melts. Collectively, the comparison of δ18O zoning in garnet and zircon shows how a peraluminous pluton can be constructed from multiple batches of variably contaminated melts, especially in early stages of arc magmatism where magmas encounter significant heterogeneity of wall-rock assemblages. Collectively, peraluminous magmas in the Sierran arc are limited to small <100 km2 plutons that are intimately associated with metasedimentary wall rocks and often surrounded by later and larger metaluminous tonalite and granodiorite plutons. The general associations suggest that early-stage arc magmas sample crustal heterogeneities in small melt batches, but that with progressive invigoration of the arc, such compositions are more effectively blended with mantle melts in source regions. Thus, peraluminous magmas provide important details of the nascent Sierran arc and pre-batholithic crustal structure.

Geochemistry & Geophysics↗

NASA NTRSDate not supplied

Discovery and Analysis of Rare High-Impact Failure Modes using Adversarial RL-Informed Sampling

Adaptive learning agents have tremendous potential to handle critical tasks currently performed by humans. Unfortunately, due to their complexity, it can be difficult to verify that these learning agents do not have critical failure modes. Standard verification and validation methods often do not apply directly to learning agents and Monte Carlo methods have difficulty covering even a small fraction of the state space, especially in multiagent systems or over long time horizons. To overcome this difficulty, we demonstrate an adaptive stress-testing method based on reinforcement learning of correlations that raise the probability of failure. This approach has three key properties: (1) it is able to find rare failure modes with far greater sample efficiency than Monte Carlo methods, (2) it can estimate the true probability of a failure mode despite the inherent bias in the learning method, and (3) it is capable of learning and resampling compact representations of multimodal failure spaces. These properties are important in practice as we need to find disparate failure modes while accounting for their actual relevance. This is a significant advantage over traditional adaptive stress testing methods that give abstract likelihoods of particular failure instances, but cannot estimate the probability of a broader failure mode. We test our algorithm on a simple problem from the aviation domain where an autonomous aircraft lands in gusty wind conditions. The results suggest that we can find failure modes with far fewer samples than the Monte Carlo approach and simultaneously estimate the probability of failure.

reinforcement learning↗

NASA NTRSDate not supplied

Discovery and Analysis of Rare High-Impact Failure Modes using Adversarial RL-Informed Sampling

Validation↗

NASA NTRSDate not supplied

Discovery and Analysis of Rare High-Impact Failure Modes using Adversarial RL-Informed Sampling

Validation↗

NASA NTRS2020

Designing an Optimal Ensemble Strategy for GMAO S2S Forecast System

The NASA Global Modeling and Assimilation Office (GMAO) Sub-seasonal to Seasonal (S2S) prediction system is being readied for a major upgrade. An important factor in successful extended range forecasting is the definition of the ensemble. Our overall strategy is to run a relatively large ensemble of about 40 members up to 3 months (focusing on the sub-seasonal forecast problem), after which we sub-sample the ensemble, and continue the forecast with about 10 members (up to 12 months). Here we present the results of our testing of various ways to generate the initial perturbations and the validation of a stratified sampling approach for choosing the members of the smaller ensemble. For the initialization of the ensemble we propose a combination of lagged and burst initial conditions. To generate perturbations for the burst ensemble members we used scaled differences of pairs of analysis states (chosen randomly from the corresponding season) separated by 1-10 days. We consider perturbing separately the atmosphere and the ocean, or both. By varying the separation times between the analysis states, we are able to produce perturbations that resemble well-known modes of variability. Focusing on the ENSO SST indices, we found that all types of perturbations are important for the ensemble spread with, however, considerable differences in the timing of the impacts on spread for the atmospheric and oceanic perturbations.Our initial (larger) ensemble size was determined so as to maximize the skill of predicting some of the leading modes of boreal winter atmospheric modes (namely the NAO, PNA and AO). Since it is not feasible for us to run with the larger ensemble beyond about 3 months, we employ a stratified sampling procedure that identifies the emerging directions of error growth to subset the ensemble. By comparing the results from the stratified ensemble with that of the randomly sampled ensemble of the same size, we find that the former provides substantially better estimates the mean of the original large ensemble.

Borovikov, Anna↗

DOE OSTI2020

Assessing microbial residues in soil as a potential carbon sink and moderator of carbon use efficiency

Abstract A longstanding assumption of glucose tracing experiments is that all glucose is microbially utilized during short incubations of ≤2 days to become microbial biomass or carbon dioxide. Carbon use efficiency (CUE) estimates have consequently ignored the formation of residues (non-living microbial products) although such materials could represent an important sink of glucose that is prone to stabilization as soil organic matter. We examined the dynamics of microbial residue formation from a short tracer experiment with frequent samplings over 72 h, and conducted a meta-analysis of previously published glucose tracing studies to assess the generality of these experimental results. Both our experiment and meta-analysis indicated 30–34% of amended glucose-C ( 13 C or 14 C) was in the form of residues within the first 6 h of substrate addition. We expand the conventional efficiency calculation to include residues in both the numerator and denominator of efficiency, thereby deriving a novel metric of the potential persistence of glucose-C in soil as living microbial biomass plus residues (‘carbon stabilization efficiency’). This new metric indicates nearly 40% of amended glucose-C persists in soil 180 days after amendment, the majority as non-biomass residues. Starting microbial biomass and clay content emerge as critical factors that positively promote such long term stabilization of labile C. Rapid residue production supports the conclusion that non-growth maintenance activity can illicit high demands for C in soil, perhaps equaling that directed towards growth, and that residues may have an underestimated role in the cycling and sequestration potential of C in soil.

Geyer, Kevin (ORCID:0000000252182745)↗

DOE OSTI2023

Automatic detection of cataclysmic variables from SDSS images

Abstract Investigating rare and new objects have always been an important direction in astronomy. Cataclysmic variables (CVs) are ideal and natural celestial bodies for studying the accretion process of semi-detached binaries with accretion processes. However, the sample size of CVs must increase because a lager gap exists between the observational and the theoretical expanding CVs. Astronomy has entered the big data era and can provide massive images containing CV candidates. CVs as a type of faint celestial objects, are highly challenging to be identified directly from images using automatic manners. Deep learning has rapidly developed in intelligent image processing and has been widely applied in some astronomical fields with excellent detection results. YOLOX, as the latest YOLO framework, is advantageous in detecting small and dark targets. This work proposes an improved YOLOX-based framework according to the characteristics of CVs and Sloan Digital Sky Survey (SDSS) photometric images to train and verify the model to realise CV detection. We use the Convolutional Block Attention Module to increase the number of output features with the feature extraction network and adjust the feature fusion network to obtain fused features. Accordingly, the loss function is modified. Experimental results demonstrate that the improved model produces satisfactory results, with average accuracy (mean average Precision at 0.5) of 92.0%, Precision of 92.9%, Recall of 94.3%, and $F1-score$ of 93.6% on the test set. The proposed method can efficiently achieve the identification of CVs in test samples and search for CV candidates in unlabeled images. The image data vastly outnumber the spectra in the SDSS-released data. With supplementary follow-up observations or spectra, the proposed model can help astronomers in seeking and detecting CVs in a new manner to ensure that a more extensive CV catalog can be built. The proposed model may also be applied to the detection of other kinds of celestial objects.

Astronomy & Astrophysics↗

DOE OSTI2024

Automating data analysis for hydrogen/deuterium exchange mass spectrometry using data-independent acquisition methodology

We present a hydrogen/deuterium exchange workflow coupled to tandem mass spectrometry (HX-MS 2 ) that supports the acquisition of peptide fragment ions alongside their peptide precursors. The approach enables true auto-curation of HX data by mining a rich set of deuterated fragments, generated by collisional-induced dissociation (CID), to simultaneously confirm the peptide ID and authenticate MS 1 -based deuteration calculations. The high redundancy provided by the fragments supports a confidence assessment of deuterium calculations using a combinatorial strategy. The approach requires data-independent acquisition (DIA) methods that are available on most MS platforms, making the switch to HX-MS 2 straightforward. Importantly, we find that HX-DIA enables a proteomics-grade approach and wide-spread applications. Considerable time is saved through auto-curation and complex samples can now be characterized and at higher throughput. We illustrate these advantages in a drug binding analysis of the ultra-large protein kinase DNA-PKcs, isolated directly from mammalian cells.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

BEYONDPLANCK XI. Bayesian CMB analysis with sample-based end-to-end error propagation

We present posterior sample-based cosmic microwave background (CMB) constraints from Planck LFI and WMAP observations as derived through global end-to-end Bayesian processing within the BeyondPlanck framework. We first use these samples to study correlations between CMB, foreground, and instrumental parameters, and we identify a particularly strong degeneracy between CMB temperature fluctuations and free-free emission on intermediate angular scales (400 ≲ ℓ ≲ 600), which is mitigated through model reduction, masking, and resampling. We compare our posterior-based CMB results with previous Planck products, and find generally good agreement, although with notably higher noise due to our exclusion of HFI data. We find a best-fit CMB dipole amplitude of 3362.7 ± 1.4 µK, in excellent agreement with previous Planck results. The quoted dipole uncertainty is derived directly from the sampled posterior distribution, and does not involve any ad hoc contributions for Planck instrumental systematic effects. Similarly, we find a temperature quadrupole amplitude of ${σ}_{2}^{TT}$ = 229 ± 97 µK 2 , which is in good agreement with previous results in terms of the amplitude, but the uncertainty is an order of magnitude larger than the naive diagonal Fisher uncertainty. Relatedly, we find lower evidence for a possible alignment between the quadrupole and octopole than previously reported due to a much larger scatter in the individual quadrupole coefficients, caused both by marginalizing over a more complete set of systematic effects, but also by our more conservative analysis mask required to mitigate the free-free degeneracy. For higher multipoles, we find that the angular temperature power spectrum is generally in good agreement with both Planck and WMAP. At the same time, we note that this is the first time the sample-based asymptotically exact Blackwell-Rao estimator has been successfully established for multipoles up to ℓ ≤ 600, and it now accounts for the majority of the cosmologically important information. Overall, this analysis demonstrates the unique capabilities of the Bayesian approach with respect to end-to-end systematic uncertainty propagation, and we believe it can and should play an important role in the analysis of future CMB experiments. Cosmological parameter constraints are presented in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗

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