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Rapid Centroids and the Refined Position Accuracy of the Swift Gamma-ray Burst Catalogue

The Swift X-ray Telescope autonomously refines the Burst Alert Telescope positions (approx.1-4' uncertainty) to better than 5 arcsec, within 5 seconds of target acquisition by the observatory for typical bursts. The results of the rapid positioning capability of the XRT are presented here for both known sources and newly discovered GRBs, demonstrating the ability to automatically utilize one of two integration times according to the burst brightness, and to correct the position for alignment offsets caused by the fast pointing performance and variable thermal environment of the satellite as measured by the Telescope Alignment Monitor. We present an evaluation of the position accuracy for both the onboard centroiding software and the ground software for the calibration targets and show that a significant improvement in position accuracy is obtained if the boresight detector position is optimized relative to the spacecraft pointing. Finally, we present an updated catalogue of Swift GRB X-ray positions obtained in Photon Counting Mode using the improved, calibrated boresight.

Hill, J. E.↗

Diffraction-geometry refinement in the DIALS framework

Rapid data collection and modern computing resources provide the opportunity to revisit the task of optimizing the model of diffraction geometry prior to integration. A comprehensive description is given of new software that builds upon established methods by performing a single global refinement procedure, utilizing a smoothly varying model of the crystal lattice where appropriate. This global refinement technique extends to multiple data sets, providing useful constraints to handle the problem of correlated parameters, particularly for small wedges of data. Examples of advanced uses of the software are given and the design is explained in detail, with particular emphasis on the flexibility and extensibility it entails.

59 BASIC BIOLOGICAL SCIENCES↗

Refinement of Magellan radiometric correction using range centroid estimation

The Magellan (MGN) synthetic aperture radar (SAR) processing radiometric compensation algorithm is described, and the effective pointing error caused by the terrain is examined. It is shown how the range centroid can be computed from spacecraft ancillary data with an accurate topographic model. In cases where such data are not available, a technique is presented to estimate the range centroid from the coherent radar echoes. This technique is demonstrated using MGN SAR data.

Cheng, T.↗

Optical Range and Doppler Centroid Estimation for a ScanSAR System

This paper presents a new range and Doppler centroid estimation algorithm for a ScanSAR system. Its accurate range and Doppler centroid estimates lead to refined radar pointing angles, which enables the ScanSAR imagery meeting its radiometric reuirements. This algorithm attains an accuracy equal to the cramer Rao's lower bound for both the homogeneous and quasi-homogeneous targets. This algorithm is also efficient in computation and easy for implementation.

ScanSAR System↗

Event Centroiding Applied to Energy-Resolved Neutron Imaging at LANSCE

The energy-dependence of the neutron cross section provides vastly different contrast mechanisms than polychromatic neutron radiography if neutron energies can be selected for imaging applications. In recent years, energy-resolved neutron imaging (ERNI) with epi-thermal neutrons, utilizing neutron absorption resonances for contrast as well as for quantitative density measurements, was pioneered at the Flight Path 5 beam line at LANSCE and continues to be refined. In this work, we present event centroiding, i.e., the determination of the center-of-gravity of a detection event on an imaging detector to allow sub-pixel spatial resolution and apply it to the many frames collected for energy-resolved neutron imaging at a pulsed neutron source. While event centroiding was demonstrated at thermal neutron sources, it has not been applied to energy-resolved neutron imaging, where the energy resolution requires to be preserved, and we present a quantification of the possible resolution as a function of neutron energy. For the 55 μm pixel size of the detector used for this study, we found a resolution improvement from ~80 μm to ~22 μm using pixel centroiding while fully preserving the energy resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Design of cryogenic tanks for launch vehicles

During the period since January 1990, work was concentrated on the problem of the buckling of the structure of an ALS (advanced launch systems) tank during the boost phase. The primary problem was to analyze a proposed hat stringer made by superplastic forming, and to compare it with an integrally stiffened stringer design. A secondary objective was to determine whether structural rings having the identical section to the stringers will provide adequate support against overall buckling. All of the analytical work was carried out with the TESTBED program on the CONVEX computer, using PATRAN programs to create models. Analyses of skin/stringer combinations have shown that the proposed stringer design is an adequate substitute for the integrally stiffened stringer. Using a highly refined mesh to represent the corrugations in the vertical webs of the hat stringers, effective values were obtained for cross-sectional area, moment of inertia, centroid height, and torsional constant. Not only can these values be used for comparison with experimental values, but they can also be used for beams to replace the stringers and frames in analytical models of complete sections of tank. The same highly refined model was used to represent a section of skin reinforced by a stringer and a ring segment in the configuration of a cross. It was intended that this would provide a baseline buckling analysis representing a basic mode, however, the analysis proved to be beyond the scope of the CONVEX computer. One quarter of this model was analyzed, however, to provide information on buckling between the spot welds. Models of large sections of the tank structure were made, using beam elements to model the stringers and frames. In order to represent the stiffening effects of pressure, stresses and deflections under pressure should first be obtained, and then the buckling analysis should be made on the structure so deflected. So far, uncharacteristic deflections under pressure were obtained from the TESTBED program using two types of structural elements. Similar results were obtained using the ANSYS program on a mainframe computer, although two finite element programs on microcomputers have yielded realistic results.

Copper, Charles↗

Version 4 CALIPSO Imaging Infrared Radiometer ice and liquid water cloud microphysical properties – Part I: The retrieval algorithms

Following the release of the version 4 Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) data products from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) mission, a new version (version 4; V4) of the CALIPSO Imaging Infrared Radiometer (IIR) Level 2 data products has been developed. The IIR Level 2 data products include cloud effective emissivities and cloud microphysical properties such as effective diameter and ice or liquid water path estimates. Dedicated retrievals for water clouds were added in V4, taking advantage of the high sensitivity of the IIR retrieval technique to small particle sizes. This paper (Part I) describes the improvements in the V4 algorithms compared to those used in the version 3 (V3) release, while results will be presented in a companion (Part II) paper. The IIR Level 2 algorithm has been modified in the V4 data release to improve the accuracy of the retrievals in clouds of very small (close to 0) and very large (close to 1) effective emissivities. To reduce biases at very small emissivities that were made evident in V3, the radiative transfer model used to compute clear-sky brightness temperatures over oceans has been updated and tuned for the simulations using Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2) data to match IIR observations in clear-sky conditions. Furthermore, the clear-sky mask has been refined compared to V3 by taking advantage of additional information now available in the V4 CALIOP 5 km layer products used as an input to the IIR algorithm. After sea surface emissivity adjustments, observed and computed brightness temperatures differ by less than ±0.2 K at night for the three IIR channels centered at 08.65, 10.6, and 12.05 µm, and inter-channel biases are reduced from several tens of Kelvin in V3 to less than 0.1 K in V4. We have also improved retrievals in ice clouds having large emissivity by refining the determination of the radiative temperature needed for emissivity computation. The initial V3 estimate, namely the cloud centroid temperature derived from CALIOP, is corrected using a parameterized function of temperature difference between cloud base and top altitudes, cloud absorption optical depth, and CALIOP multiple scattering correction factor. As shown in Part II, this improvement reduces the low biases at large optical depths that were seen in V3 and increases the number of retrievals. As in V3, the IIR microphysical retrievals use the concept of microphysical indices applied to the pairs of IIR channels at 12.05 and 10.6 µm and at 12.05 and 08.65 µm. The V4 algorithm uses ice look-up tables (LUTs) built using two ice habit models from the recent “TAMUice2016” database, namely the single-hexagonal-column model and the eight-element column aggregate model, from which bulk properties are synthesized using a gamma size distribution. Four sets of effective diameters derived from a second approach are also reported in V4. Here, the LUTs are analytical functions relating microphysical index applied to IIR channels 12.05 and 10.6 µm and effective diameter as derived from in situ measurements at tropical and midlatitudes during the Tropical Composition, Cloud, and Climate Coupling (TC4) and Small Particles in Cirrus Science and Operations Plan (SPARTICUS) field experiments.

54 ENVIRONMENTAL SCIENCES↗

Performance optimization for hard X-ray/soft gamma-ray detectors

This paper discusses the optimization of the performance of imaging scintillation detectors used in the hard X-ray/soft gamma-ray (20-300) keV region of the spectrum. In these devices, absorption of an incident gamma-ray within an alkali halide crystal induces a scintillation light distribution which is centroided by an imaging photomultiplier tube mounted to the crystal. The ultimate imaging resolution is strongly affected by the detailed propagation of the scintillation light within the crystal and at the interface between the crystal and the phototube face plate. A number of refined techniques for preparing the scintillation crystals so as to optimize the imaging resolution have been investigated. The results indicate very good agreement with relatively simple models of the light propagation. It is shown that it is possible to achieve resolution consistent with the most optimistic models.

Harrison, Fiona A.↗

High Resolution Photoelectron Spectroscopy of the Acetyl Anion

High-resolution photoelectron spectra of cryogenically cooled acetyl anions (CH 3 CO - ) obtained using slow photoelectron velocity-map imaging are reported. The high resolution of the photoelectron spectrum yields a refined electron affinity of 0.4352 ± 0.0012 eV for the acetyl radical as well as the observation of a new vibronic structure that is assigned based on ab initio calculations. Three vibrational frequencies of the neutral radical are measured to be 1047 ± 3 cm -1 (ν 6 ), 834 ± 2 cm -1 (ν 7 ), and 471 ± 1 cm -1 (ν 8 ). Here this work represents the first experimental measurement of the ν 6 frequency of the neutral. The measured electron affinity is used to calculate a refined value of 1641.35 ± 0.42 kJ mol -1 for the gas-phase acidity of acetaldehyde. Analysis of the photoelectron angular distributions provides insight into the character of the highest occupied molecular orbital of the anion, revealing a molecular orbital with strong d-character. Additionally, details of a new centroiding algorithm based on finite differences, which has the potential to decrease data acquisition times by an order of magnitude at no cost to accuracy, are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Properties of an imaging gas scintillation proportional counter

An instrument which combines the improved energy resolution offered by the gas scintillation proportional counter (GSPC) with the submillimeter imaging capabilities of the multiwire proportional counter (MWPC) is described. The imaging gas scintillation proportional counter detects the centroid of the UV light excited by X-ray photons interacting in the noble gas of the GSPC with a UV sensitive gas in the MWPC. The prototype counter yields a measured performance of 9% (FWHM) energy resolution and 0.9 mm (FWHM) spatial resolution at 6 keV. Further design refinements should achieve 18% (FWHM) energy resolution and 0.6 mm (FWHM) spatial resolution at 1 keV.

Ku, W. H.-M.↗

An Updated 2017 Astrometric Solution for Betelgeuse

We provide an update for the astrometric solution for the Type II supernova progenitor Betelgeuse using the revised Hipparcos Intermediate Astrometric Data (HIAD) of van Leeuwen, combined with existing VLA and new e-MERLIN and ALMA positions. The 2007 Hipparcos refined abscissa measurements required the addition of so-called Cosmic Noise of 2.4 mas to find an acceptable 5-parameter stochastic solution. We find that a measure of radio Cosmic Noise should also be included for the radio positions because surface inhomogeneities exist at a level significant enough to introduce additional intensity centroid uncertainty. Combining the 2007 HIAD with the proper motions based solely on the radio positions leads to a parallax of π=5.27±0.78 mas (190{sub −25}{sup +33} pc), smaller than the Hipparcos 2007 value of 6.56 ± 0.83 mas (152{sub −17}{sup +22} pc). Furthermore, combining the VLA and new e-MERLIN and ALMA radio positions with the 2007 HIAD, and including radio Cosmic Noise of 2.4 mas, leads to a nominal parallax solution of 4.51 ± 0.80 mas (222{sub −34}{sup +48} pc), which, while only 0.7σ different from the 2008 solution of Harper et al., is 2.6σ different from the solution of van Leeuwen. An accurate and precise parallax for Betelgeuse is always going to be difficult to obtain because it is small compared to the stellar angular diameter (θ=44 mas). We outline an observing strategy utilizing future mm and sub-mm high-spatial resolution interferometry that must be used if substantial improvements in the precision and accuracy of the parallax and distance are to be achieved.

79 ASTRONOMY AND ASTROPHYSICS↗

Precision lattice parameter determination from transmission diffraction of thick specimens with irregular cross sections

Accurate determination of lattice parameters from X-ray diffraction requires that the diffraction angles be measured very precisely, and significant errors result if the sample–detector separation differs from that assumed. Transmission diffraction from bones, which have a complex cross section and must be left intact, is a situation where this separation is difficult to measure and it may differ from position to position across the specimen. Here, this article describes a method for eliminating the effect of variable sample cross section. Diffraction patterns for each position on the specimen are collected before and after 180° rotation about an axis normal to the cross section of interest. This places the centroid of the diffracting mass at the center of rotation and provides the absolute lattice parameters from the average apparent lattice parameters at the two rotation angles. Diffraction patterns were collected across the cross section of three specimens: a 3D-printed elliptical cylinder of Hyperelastic Bone (HB), which is composed primarily of synthetic hydroxyapatite (hAp), a 3D-printed HB model of the second metacarpal bone (Mc2), and a modern human Mc2 containing nanocrystalline carbonated apatite (cAp). Rietveld refinement was used to determine precise unit-cell parameters a apparent and c apparent for each pattern of each scan, and these values determined the actual average < a > and < c > for each sample. In conclusion, the results indicate that the 0°/180° rotation method works well enough to uncover variations approaching 1 × 10 -3 Å in cAp unit-cell parameters in intact bones with irregular cross sections.

36 MATERIALS SCIENCE↗

Graph identification of proteins in tomograms ( GRIP‐Tomo )

Abstract In this study, we present a method of pattern mining based on network theory that enables the identification of protein structures or complexes from synthetic volume densities, without the knowledge of predefined templates or human biases for refinement. We hypothesized that the topological connectivity of protein structures is invariant, and they are distinctive for the purpose of protein identification from distorted data presented in volume densities. Three‐dimensional densities of a protein or a complex from simulated tomographic volumes were transformed into mathematical graphs as observables. We systematically introduced data distortion or defects such as missing fullness of data, the tumbling effect, and the missing wedge effect into the simulated volumes, and varied the distance cutoffs in pixels to capture the varying connectivity between the density cluster centroids in the presence of defects. A similarity score between the graphs from the simulated volumes and the graphs transformed from the physical protein structures in point data was calculated by comparing their network theory order parameters including node degrees, betweenness centrality, and graph densities. By capturing the essential topological features defining the heterogeneous morphologies of a network, we were able to accurately identify proteins and homo‐multimeric complexes from 10 topologically distinctive samples without realistic noise added. Our approach empowers future developments of tomogram processing by providing pattern mining with interpretability, to enable the classification of single‐domain protein native topologies as well as distinct single‐domain proteins from multimeric complexes within noisy volumes.

59 BASIC BIOLOGICAL SCIENCES↗

A Study of the Non-Thermal X-ray Emission of Shell-Type Supernova Remnants

The term of the forth year of the award is the period from March 15, 2003 to March 14, 2004. During this year, Dr. Thomas Pannuti, who had been performing most of the analyses, made a transition to a new position at Caltech. As of September 2003, Dr. Michael Stage began performing most of the analyses. Dr. Stage has begun constructing a detailed catalog of the spatial and spectral properties of young supernova remnants as described in sections 1 and 4 of the proposal. Specifically, he has focused on the analysis of Chandra ACIS data. The exquisite spatial resolution of the Chandra telescope and the modest spectral resolution of the CCDs make these data ideal. Dr. Stage has developed a standard set of procedures to reduce the data, generate telescope and detector response libraries and handle instrumental and celestial background subtraction. He has also adapted some existing code to automate spectral extraction and fitting. This code enables us to analyze the spectra of tens of thousands of small subregions of supernova remnants. Dr. Stage has recently applied this process to ACIS data for the supernova remnants Cas A and Kepler. The results include maps of the fitted parameters, such as individual line intensities and centroids (i.e. Doppler shifts), the electron temperature, and the absorption column density. These maps are more accurate than simple energy-cut images because it is difficult (and sometimes impossible) to cleanly separate the line emission from the underlying continuum (especially at low energies). It is now possible to identify the locations at which emission from each element is produced. Some of the elements are seen to be layered. The electron temperature maps demonstrate that the outer edges of Cas A and Kepler are very hot with weak lines. This emission is almost certainly synchrotron dominated. Therefore, not only are the maps interesting in and of themselves, but they also provide an unbiased means of easily identifying features in the remnants that can be studied in more detail using, for example, synchrotron models. Over the next year, Dr. Stage will refine the analysis procedures, expand the analyses to include several other remnants, present the results at major scientific conferences and publish a catalog of the results. Since this work is producing impressive results, we have applied for very long Chandra observations of Kepler and Tycho to obtain enough counts to take lull advantage of the technique. A i Ms observation of Cas A is already scheduled. Over the past year, I completed a joint, spectra,l analysis of some X-ray, radio, and gamma-ray data for the supernova remnant SN 1006. The results of this analysis show that the synchrotron and, hence, electron spectrum of the remnant is curved. The amount of curvature in the electron spectrum is quantitatively consistent with predictions of the amount of curvature in the proton spectrum of the remnant. A paper describing this work is nearly complete. When Dr. Pannuti left, he was analyzing X-ray data for the young supernova remnant G266.2-1.2. Dr. Pannuti found the first evidence of thermal X-ray emission from this remnant. Furthermore, like SN 1006, the cutoff frequency varies with azimuth along the bright northeastern rim. This work will be published during the coming year.

Allen, Glenn E.↗

Orion Optical Navigation Progress Toward Exploration: Mission 1

Optical navigation of human spacecraft was proposed on Gemini and implemented successfully on Apollo as a means of autonomously operating the vehicle in the event of lost communication with controllers on Earth. It shares a history with the "method of lunar distances" that was used in the 18th century and gained some notoriety after its use by Captain James Cook during his 1768 Pacific voyage of the HMS Endeavor. The Orion emergency return system utilizing optical navigation has matured in design over the last several years, and is currently undergoing the final implementation and test phase in preparation for Exploration Mission 1 (EM-1) in 2019. The software development is being worked as a Government Furnished Equipment (GFE) project delivered as an application within the Core Flight Software of the Orion camera controller module. The mathematical formulation behind the initial ellipse fit in the image processing is detailed in Christian. The non-linear least squares refinement then follows the technique of Mortari as an estimation process of the planetary limb using the sigmoid function. The Orion optical navigation system uses a body fixed camera, a decision that was driven by mass and mechanism constraints. The general concept of operations involves a 2-hour pass once every 24 hours, with passes specifically placed before all maneuvers to supply accurate navigation information to guidance and targeting. The pass lengths are limited by thermal constraints on the vehicle since the OpNav attitude generally deviates from the thermally stable tail-to-sun attitude maintained during the rest of the orbit coast phase. Calibration is scheduled prior to every pass due to the unknown nature of thermal effects on the lens distortion and the mounting platform deformations between the camera and star trackers. The calibration technique is described in detail by Christian, et al. and simultaneously estimates the Brown-Conrady coefficients and the Star Tracker/Camera interlock angles. Accurate attitude information is provided by the star trackers during each pass. Figure 1 shows the various phases of lunar return navigation when the vehicle is in autonomous operation with lost ground communication. The midcourse maneuvers are placed to control the entry interface conditions to the desired corridor for safe landing. The general form of optical navigation on Orion is where still images of the Moon or Earth are processed to find the apparent angular diameter and centroid in the camera focal plane. This raw data is transformed into range and bearing angle measurements using planetary data and precise star tracker inertial attitude. The measurements are then sent to the main flight computer's Kalman filter to update the onboard state vector. The images are, of course, collected over an arc to converge the state and estimate velocity. The same basic technique was used by Apollo to satisfy loss-of-comm, but Apollo used manual crew sightings with a vehicle-integral sextant instead of autonomously processing optical imagery. The software development is past its Critical Design Review, and is progressing through test and certification for human rating. In support of this, a hardware-in-the-loop test rig was developed in the Johnson Space Center Electro-Optics Lab to exercise the OpNav system prior to integrated testing on the Orion vehicle. Figure 2 shows the rig, which the test team has dubbed OCILOT (Orion Camera In the Loop Optical Testbed). Analysis performed to date shows a delivery that satisfies an allowable entry corridor as shown in Figure 3.

Holt, Greg N.↗