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At least 73 records · Page 4

Spectrally Dependent Radiometric Measurement Errors Due to CCD Serial Pixel-to-Pixel Readout Interference in the Ocean Color Instrument of the NASA PACE Mission

The Ocean Color Instrument on NASA’s PACE mission is a 322 887 nm hyperspectral imager with 1 km x 1 km nadir spatial resolution and 5 nm spectral resolution utilizing charge-coupled devices (CCDs) operating in Time Delay Integration (TDI) mode where each TDI column represents a different wavelength in 0.625 nm increments. After TDI, the charge is moved into serial output pixels and read out. The spatial resolution requires an 8.5 MHz readout rate. This only allows 59 ns for the CCD reset and video to be asserted and settled before sampling. The response exhibits serial pixel-to-pixel readout interference due to the lack of full settling. Each serial pixel value has a dependence on the value of the preceding pixel value. This leads to a spectrally dependent radiometric measurement error of up to 0.3 %. We explain the operation of the detection system, the behavior of the interference, and show the resulting measurement error based on data from both ground testing and on-orbit characterization.

Remote Sensing↗

Real Time Photon-Counting Receiver for High Photon Efficiency Optical Communications

We present a scalable design for a photon-counting ground receiver based on superconducting nanowire single photon detectors (SNSPDs) and field programmable gate array (FPGA) real-time processing for applications to space-to-ground photon starved links, such as the Orion EM-2 Optical Communication Demonstration (O2O), and future deep space or low transmitter power missions. The receiver is designed to receive a serially concatenated pulse position modulation (SCPPM) waveform, which follows the Consultative Committee for Space Data Systems (CCSDS) Optical Communications Coding and Synchronization Red Book standard. The receiver design uses multiple individually fiber coupled, 80% detection efficiency commercial SNSPDs in parallel to scale to a required data rate, and is capable of achieving data rates up to 528 Mbps. For efficient fiber coupling from the telescope to the array of parallel detectors that can be scaled both to telescope aperture size and the number of detectors, we use either a single mode fiber (SMF) photonic lantern or a few-mode fiber (FMF) photonic lantern. In this paper we give an overview of the receiver system design, the characteristics of the photonic lanterns, the performance of the SNSPDs, and system level tests. We show that 40 Mbps can be received using a single SNSPD, and discuss aspects for scaling to higher data rates.

Vyhnalek, Brian E.↗

Real Time Photon-Counting Receiver for High Photon Efficiency Optical Communications

We present a scalable design for a photon-counting ground receiver based on superconducting nanowire single photon detectors (SNSPDs) and field programmable gate array (FPGA) real-time processing for applications to space-to-ground photon starved links, such as the Orion EM-2 Optical Communication Demonstration (O2O), and future deep space or low transmitter power missions. The receiver is designed to receive a serially concatenated pulse position modulation (SCPPM) waveform, which follows the Consultative Committee for Space Data Systems (CCSDS) Optical Communications Coding and Synchronization Red Book standard. The receiver design uses multiple individually fiber coupled, 80% detection efficiency commercial SNSPDs in parallel to scale to a required data rate, and is capable of achieving data rates up to 528 Mbps. For efficient fiber coupling from the telescope to the array of parallel detectors that can be scaled both to telescope aperture size and the number of detectors, we use either a single mode fiber (SMF) photonic lantern or a few-mode fiber (FMF) photonic lantern. In this paper we give an overview of the receiver system design, the characteristics of the photonic lanterns, the performance of the SNSPDs, and system level tests. We show that 40 Mbps can be received using a single SNSPD, and discuss aspects for scaling to higher data rates.

Vyhnalek, Brian E.↗

Machine Learning Based Resilience Testing of an Address Randomization Cyber Defense

Moving target defenses (MTDs) are widely used as an active defense strategy for thwarting cyberattacks on cyber-physical systems by increasing diversity of software and network paths. Recently, machine Learning (ML) and deep Learning (DL) models have been demonstrated to defeat some of the cyber defenses by learning attack detection patterns and defense strategies. It raises concerns about the susceptibility of MTD to ML and DL methods. Here, in this article, we analyze the effectiveness of ML and DL models when it comes to deciphering MTD methods and ultimately evade MTD-based protections in real-time systems. Specifically, we consider a MTD algorithm that periodically randomizes address assignments within the MIL-STD-1553 protocol—a military standard serial data bus. Two ML and DL-based tasks are performed on MIL-STD-1553 protocol to measure the effectiveness of the learning models in deciphering the MTD algorithm: 1) determining whether there is an address assignments change i.e., whether the given system employs a MTD protocol and if it does 2) predicting the future address assignments. The supervised learning models (random forest and k-nearest neighbors) effectively detected the address assignment changes and classified whether the given system is equipped with a specified MTD protocol. On the other hand, the unsupervised learning model (K-means) was significantly less effective. The DL model (long short-term memory) was able to predict the future addresses with varied effectiveness based on MTD algorithm's settings.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Circuit and Method for Communication Over DC Power Line

A circuit and method for transmitting and receiving on-off-keyed (OOK) signals with fractional signal-to-noise ratios uses available high-temperature silicon- on-insulator (SOI) components to move computational, sensing, and actuation abilities closer to high-temperature or high-ionizing radiation environments such as vehicle engine compartments, deep-hole drilling environments, industrial control and monitoring of processes like smelting, and operations near nuclear reactors and in space. This device allows for the networking of multiple, like nodes to each other and to a central processor. It can do this with nothing more than the already in-situ power wiring of the system. The device s microprocessor allows it to make intelligent decisions within the vehicle operational loop and to effect control outputs to its associated actuators. The figure illustrates how each node converts digital serial data to OOK 18-kHz in transmit mode and vice-versa in receive mode; though operations at lower frequencies or up to a megahertz are within reason using this method and these parts. This innovation s technique modulates a DC power bus with millivolt-level signals through a MOSFET (metal oxide semiconductor field effect transistor) and resistor by OOK. It receives and demodulates this signal from the DC power bus through capacitive coupling at high temperature and in high ionizing radiation environments. The demodulation of the OOK signal is accomplished by using an asynchronous quadrature detection technique realized by a quasi-discrete Fourier transform through use of the quadrature components (0 and 90 phases) of the carrier frequency as generated by the microcontroller and as a function of the selected crystal frequency driving its oscillator. The detected signal is rectified using an absolute-value circuit containing no diodes (diodes being non-operational at high temperatures), and only operational amplifiers. The absolute values of the two phases of the received signal are then summed and hard limited (digitized) by comparing them to a reference level and are then input into a microprocessor as a serial bit stream. The quasi-discrete Fourier transform is performed in high-temperature components (operational amplifiers, analog switches, resistors, and capacitors). The demodulated signal is a serial data stream that is input to the UART (universal asynchronous receiver transmitter) receiver pin of the microprocessor. The OOK of the carrier frequency uses the output of the UART pin as an enabling signal that drives the gate of the MOSFET. Logic low bits enable the carrier frequency (realized by using the 0 phase signal from the microcontroller, though either phase may be used) to be DC-coupled to the power supply bus through a current-limiting resistor mounted between the MOSFET drain and the supply rail. The presence of logic lows on the power supply rail is realized by carrier bursts while logic highs are realized by the absence of bursts.

Krasowski, Michael J.↗

Impact of Baloxavir Resistance-Associated Substitutions on Influenza Virus Growth and Drug Susceptibility

Baloxavir marboxil (baloxavir) is a recently FDA-approved influenza virus polymerase acidic (PA) endonuclease inhibitor. Several PA substitutions have been demonstrated to confer reduced susceptibility to baloxavir; however, their impacts on measurements of antiviral drug susceptibility and replication capacity when present as a fraction of the viral population have not been established. We generated recombinant A/California/04/09 (H1N1)-like viruses (IAV) with PA I38L, I38T, or E199D substitutions and B/Victoria/504/2000-like virus (IBV) with PA I38T. These substitutions reduced baloxavir susceptibility by 15.3-, 72.3-, 5.4-, and 54.5-fold, respectively, when tested in normal human bronchial epithelial (NHBE) cells. We then assessed the replication kinetics, polymerase activity, and baloxavir susceptibility of the wild-type:mutant (WT:MUT) virus mixtures in NHBE cells. The percentage of MUT relative to WT virus necessary to detect reduced baloxavir susceptibility in phenotypic assays ranged from 10% (IBV I38T) to 92% (IAV E199D). While I38T did not alter IAV replication kinetics or polymerase activity, IAV PA I38L and E199D MUTs and the IBV PA I38T MUT exhibited reduced replication levels and significantly altered polymerase activity. Differences in replication were detectable when the MUTs comprised ≥90%, ≥90%, or ≥75% of the population, respectively. Here, droplet digital PCR (ddPCR) and next-generation sequencing (NGS) analyses showed that WT viruses generally outcompeted the respective MUTs after multiple replication cycles and serial passaging in NHBE cells when initial mixtures contained ≥50% of the WT viruses; however, we also identified potential compensatory substitutions (IAV PA D394N and IBV PA E329G) that emerged and appeared to improve the replication capacity of baloxavir-resistant virus in cell culture.

60 APPLIED LIFE SCIENCES↗

Downsampling Photodetector Array with Windowing

In a photon counting detector array, each pixel in the array produces an electrical pulse when an incident photon on that pixel is detected. Detection and demodulation of an optical communication signal that modulated the intensity of the optical signal requires counting the number of photon arrivals over a given interval. As the size of photon counting photodetector arrays increases, parallel processing of all the pixels exceeds the resources available in current application-specific integrated circuit (ASIC) and gate array (GA) technology; the desire for a high fill factor in avalanche photodiode (APD) detector arrays also precludes this. Through the use of downsampling and windowing portions of the detector array, the processing is distributed between the ASIC and GA. This allows demodulation of the optical communication signal incident on a large photon counting detector array, as well as providing architecture amenable to algorithmic changes. The detector array readout ASIC functions as a parallel-to-serial converter, serializing the photodetector array output for subsequent processing. Additional downsampling functionality for each pixel is added to this ASIC. Due to the large number of pixels in the array, the readout time of the entire photodetector is greater than the time between photon arrivals; therefore, a downsampling pre-processing step is done in order to increase the time allowed for the readout to occur. Each pixel drives a small counter that is incremented at every detected photon arrival or, equivalently, the charge in a storage capacitor is incremented. At the end of a user-configurable counting period (calculated independently from the ASIC), the counters are sampled and cleared. This downsampled photon count information is then sent one counter word at a time to the GA. For a large array, processing even the downsampled pixel counts exceeds the capabilities of the GA. Windowing of the array, whereby several subsets of pixels are designated for processing, is used to further reduce the computational requirements. The grouping of the designated pixel frame as the photon count information is sent one word at a time to the GA, the aggregation of the pixels in a window can be achieved by selecting only the designated pixel counts from the serial stream of photon counts, thereby obviating the need to store the entire frame of pixel count in the gate array. The pixel count se quence from each window can then be processed, forming lower-rate pixel statistics for each window. By having this processing occur in the GA rather than in the ASIC, future changes to the processing algorithm can be readily implemented. The high-bandwidth requirements of a photon counting array combined with the properties of the optical modulation being detected by the array present a unique problem that has not been addressed by current CCD or CMOS sensor array solutions.

Patawaran, Ferze D.↗

A signal detection model predicts the effects of set size on visual search accuracy for feature, conjunction, triple conjunction, and disjunction displays

Recently, quantitative models based on signal detection theory have been successfully applied to the prediction of human accuracy in visual search for a target that differs from distractors along a single attribute (feature search). The present paper extends these models for visual search accuracy to multidimensional search displays in which the target differs from the distractors along more than one feature dimension (conjunction, disjunction, and triple conjunction displays). The model assumes that each element in the display elicits a noisy representation for each of the relevant feature dimensions. The observer combines the representations across feature dimensions to obtain a single decision variable, and the stimulus with the maximum value determines the response. The model accurately predicts human experimental data on visual search accuracy in conjunctions and disjunctions of contrast and orientation. The model accounts for performance degradation without resorting to a limited-capacity spatially localized and temporally serial mechanism by which to bind information across feature dimensions.

Non-NASA Center↗

Resolving Phase Ambiguities In OQPSK

Improved design for modulator and demodulator in offset-quaternary-phase-key-shifting (OQPSK) communication system enables receiver to resolve ambiguity in estimated phase of received signal. Features include unique-code-word modulation and detection and digital implementation of Costas loop in carrier-recovery subsystem. Enchances performance of carrier-recovery subsystem, reduces complexity of receiver by removing redundant circuits from previous design, and eliminates dependence of timing in receiver upon parallel-to-serial-conversion clock.

Nguyen, Tien M.↗

The Influence of Cr-Additives on the Polarization Resistance of Praseodymium-Doped Ceria Cathodes for Solid Oxide Fuel Cells

While Cr poisoning of the oxygen reduction reaction (ORR) at SOFC cathodes is widely agreed to involve deactivation of oxygen exchange sites, the degradation mechanism remains ambiguous. Here, we selected an alternative cathode material Pr 0.1 Ce 0.9 O 2− δ , free of Sr segregation, to systematically investigate the effect of Cr-induced degradation in ORR. We expand on our previous studies in which the acidity/basicity of binary additives was found to be a strong indicator of the rate of oxygen surface exchange, by electrochemically investigating the ORR activity of the PCO cathode by impedance spectroscopy. Serial infiltration with acidic Cr-based oxides was found to degrade ORR activity as reflected in a 20-fold increase in area specific resistance (ASR) without corresponding changes in activation energy, with the opposite trend obtained with Ca-based oxides. Detected changes in total capacitance, attributed to changes in surface capacitance, also suggest depressed/enhanced PCO surface redox behavior with Cr/Ca-based infiltrants. Taken together, these results point to a more universal source of ORR poisoning/activation, based on acidity/basicity, rather than physical blocking of active sites. With this improved understanding, one can expect progress to be made in the coming years in optimizing means for protecting catalytic surfaces from degradation and/or improving their performance.

25 ENERGY STORAGE↗

Wireless Avionics Packet to Support Fault Tolerance for Flight Applications

In this protocol and packet format, data traffic is monitored by all network interfaces to determine the health of transmitter and subsystems. When failures are detected, the network inter face applies its recover y policies to provide continued service despite the presence of faults. The protocol, packet format, and inter face are independent of the data link technology used. The current demonstration system supports both commercial off-the-shelf wireless connections and wired Ethernet connections. Other technologies such as 1553 or serial data links can be used for the network backbone. The Wireless Avionics packet is divided into three parts: a header, a data payload, and a checksum. The header has the following components: magic number, version, quality of service, time to live, sending transceiver, function code, payload length, source Application Data Interface (ADI) address, destination ADI address, sending node address, target node address, and a sequence number. The magic number is used to identify WAV packets, and allows the packet format to be updated in the future. The quality of service field allows routing decisions to be made based on this value and can be used to route critical management data over a dedicated channel. The time to live value is used to discard misrouted packets while the source transceiver is updated at each hop. This information is used to monitor the health of each transceiver in the network. To identify the packet type, the function code is used. Besides having a regular data packet, the system supports diagnostic packets for fault detection and isolation. The payload length specifies the number of data bytes in the payload, and this supports variable-length packets in the network. The source ADI is the address of the originating interface. This can be used by the destination application to identify the originating source of the packet where the address consists of a subnet, subsystem class within the subnet, a subsystem unit, and the local ADI number. The destination ADI is used to route the packet to its ultimate destination. At each hop, the sending interface uses the destination address to determine the next node for the data. The sending node is the node address of the interface that is broadcasting the packet. This field is used to determine the health of the subsystem that is sending the packet. In the case of a packet that traverses several intermediate nodes, it may be the node address of the intermediate node. The target node is the node address of the next hop for the packet. It may be an intermediate node, or the final destination for the packet. The sequence number is used to identify duplicate packets. Because each interface has multiple transceivers, the same packet will appear at both receivers. The sequence number allows the interface to correlate the reception and forward a single, unique packet for additional processing. The subnet field allows data traffic to be partitioned into segregated local networks to support large networks while keeping each subnet at a manageable size. This also keeps the routing table small enough so routing can be done by a simple table lookup in an FPGA device. The subsystem class identifies members of a set of redundant subsystems, and, in a hot standby configuration, all members of the subsystem class will receive the data packets. Only the active subsystem will generate data traffic. Specific units in a class of redundant units can be identified and, if the hot standby configuration is not used, packets will be directed to a specific subsystem unit.

Block, Gary L.↗

Spread spectrum communication link using surface wave devices

A fast lock-up, 8-MHz bandwidth 8,000 bit per second data rate spread spectrum communication link breadboard is described that is implemented using surface wave devices as the primary signal generators and signal processing elements. It uses surface wave tapped delay lines in the transmitter to generate the signals and in the receiver to detect them. The breadboard provides a measured processing gain for Gaussian noise of 31.5 dB which is within one dB of the theoretical optimum. This development demonstrates that spread spectrum receivers implemented with surface wave devices have sensitivities and complexities comparable to those of serial correlation receivers, but synchronization search times which are two to three orders of magnitude smaller.

Hunsinger, B. J.↗

TuckerMPI: A Parallel C++/MPI Software Package for Large-scale Data Compression via the Tucker Tensor Decomposition

With this study, our goal is compression of massive-scale grid-structured data, such as the multi-terabyte output of a high-fidelity computational simulation. For such data sets, we have developed a new software package called TuckerMPI, a parallel C++/MPI software package for compressing distributed data. The approach is based on treating the data as a tensor, i.e., a multidimensional array, and computing its truncated Tucker decomposition, a higher-order analogue to the truncated singular value decomposition of a matrix. The result is a low-rank approximation of the original tensor-structured data. Compression efficiency is achieved by detecting latent global structure within the data, which we contrast to most compression methods that are focused on local structure. In this work, we describe TuckerMPI, our implementation of the truncated Tucker decomposition, including details of the data distribution and in-memory layouts, the parallel and serial implementations of the key kernels, and analysis of the storage, communication, and computational costs. We test the software on 4.5 and 6.7 terabyte data sets distributed across 100 s of nodes (1,000 s of MPI processes), achieving compression ratios between 100 and 200,000×, which equates to 99--99.999% compression (depending on the desired accuracy) in substantially less time than it would take to even read the same dataset from a parallel file system. Moreover, we show that our method also allows for reconstruction of partial or down-sampled data on a single node, without a parallel computer so long as the reconstructed portion is small enough to fit on a single machine, e.g., in the instance of reconstructing/visualizing a single down-sampled time step or computing summary statistics. The code is available at https://gitlab.com/tensors/TuckerMPI.

97 MATHEMATICS AND COMPUTING↗

The Operational NASA Anomaly Gas Analyzer and Exploration Follow-Ons

The NASA Anomaly Gas Analyzer (AGA) is the culmination of nearly ten years of advancement of core technology originally developed by Vista Photonics through the Small Business Innovation Research (SBIR) program and expanded using NASA program funding. The AGA is a portable, battery operated, optical gas detection instrument for continuous monitoring of H 2 O, CO 2 , O 2 , CO, NH 3 , HCN, HF, HCl in the spacecraft environment. Real time, in-situ monitored, gas concentrations are communicated at 1 Hz through a built-in display on-orbit and additionally through a serial interface on the ground. The instruments function over the typical range of temperatures and pressures required for the spacecraft environment. A ten-year operational life is targeted. Seven AGA instruments are currently deployed on the International Space Station and two Orion-specific units are manifested for Artemis 2. A variation of the operational AGA is under development for lunar Human Landing Systems. A wider calibrated operating pressure envelope is required in this application. Otherwise, the instruments straightforwardly address lessons learned from the original AGA by improving aspects of thermal control, ruggedness, and ease-of-use. A subset of AGA-developed sensed gases (H 2 O, CO 2 , O 2 ) is the subject of the Primary Constituent Monitor (PCM) development for the Habitation and Logistics Outpost (HALO) destined for lunar orbit. Two PCMs will be installed in HALO as part of the environmental control loop where they will interface with vehicle power and communications. While the basic sensor techniques are unchanged from the AGA, these instruments have been radiation hardened to survive for many years in the harsh target environment. Current development status for these instruments will be presented along with recent developments of a naval submarine variant.

Air Monitoring↗

The Operational NASA Anomaly Gas Analyzer and Exploration Follow-Ons

The NASA Anomaly Gas Analyzer (AGA) is the culmination of nearly ten years of advancement of core technology originally developed by Vista Photonics through the Small Business Innovation Research (SBIR) program and expanded using NASA program funding. The AGA is a portable, battery operated, optical gas detection instrument for continuous monitoring of H 2 O, CO 2 , O 2 , CO, NH 3 , HCN, HF, HCl in the spacecraft environment. Real time, in-situ monitored, gas concentrations are communicated at 1 Hz through a built-in display on-orbit and additionally through a serial interface on the ground. The instruments function over the typical range of temperatures and pressures required for the spacecraft environment. A ten-year operational life is targeted. Seven AGA instruments are currently deployed on the International Space Station and two Orion-specific units are manifested for Artemis 2. A variation of the operational AGA is under development for lunar Human Landing Systems. A wider calibrated operating pressure envelope is required in this application. Otherwise, the instruments straightforwardly address lessons learned from the original AGA by improving aspects of thermal control, ruggedness, and ease-of-use. A subset of AGA-developed sensed gases (H 2 O, CO 2 , O 2 ) is the subject of the Primary Constituent Monitor (PCM) development for the Habitation and Logistics Outpost (HALO) destined for lunar orbit. Two PCMs will be installed in HALO as part of the environmental control loop where they will interface with vehicle power and communications. While the basic sensor techniques are unchanged from the AGA, these instruments have been radiation hardened to survive for many years in the harsh target environment. Current development status for these instruments will be presented along with recent developments of a naval submarine variant.

ECLSS↗

The Pixel Anomaly Detection Tool : a user-friendly GUI for classifying detector frames using machine-learning approaches

Data collection at X-ray free electron lasers has particular experimental challenges, such as continuous sample delivery or the use of novel ultrafast high-dynamic-range gain-switching X-ray detectors. This can result in a multitude of data artefacts, which can be detrimental to accurately determining structure-factor amplitudes for serial crystallography or single-particle imaging experiments. Here, a new data-classification tool is reported that offers a variety of machine-learning algorithms to sort data trained either on manual data sorting by the user or by profile fitting the intensity distribution on the detector based on the experiment. This is integrated into an easy-to-use graphical user interface, specifically designed to support the detectors, file formats and software available at most X-ray free electron laser facilities. The highly modular design makes the tool easily expandable to comply with other X-ray sources and detectors, and the supervised learning approach enables even the novice user to sort data containing unwanted artefacts or perform routine data-analysis tasks such as hit finding during an experiment, without needing to write code.

47 OTHER INSTRUMENTATION↗

Smart Power Supply for Battery-Powered Systems

A power supply for battery-powered systems has been designed with an embedded controller that is capable of monitoring and maintaining batteries, charging hardware, while maintaining output power. The power supply is primarily designed for rovers and other remote science and engineering vehicles, but it can be used in any battery alone, or battery and charging source applications. The supply can function autonomously, or can be connected to a host processor through a serial communications link. It can be programmed a priori or on the fly to return current and voltage readings to a host. It has two output power busses: a constant 24-V direct current nominal bus, and a programmable bus for output from approximately 24 up to approximately 50 V. The programmable bus voltage level, and its output power limit, can be changed on the fly as well. The power supply also offers options to reduce the programmable bus to 24 V when the set power limit is reached, limiting output power in the case of a system fault detected in the system. The smart power supply is based on an embedded 8051-type single-chip microcontroller. This choice was made in that a credible progression to flight (radiation hard, high reliability) can be assumed as many 8051 processors or gate arrays capable of accepting 8051-type core presently exist and will continue to do so for some time. To solve the problem of centralized control, this innovation moves an embedded microcontroller to the power supply and assigns it the task of overseeing the operation and charging of the power supply assets. This embedded processor is connected to the application central processor via a serial data link such that the central processor can request updates of various parameters within the supply, such as battery current, bus voltage, remaining power in battery estimations, etc. This supply has a direct connection to the battery bus for common (quiescent) power application. Because components from multiple vendors may have differing power needs, this supply also has a secondary power bus, which can be programmed a priori or on-the-fly to boost the primary battery voltage level from 24 to 50 V to accommodate various loads as they are brought on line. Through voltage and current monitoring, the device can also shield the charging source from overloads, keep it within safe operating modes, and can meter available power to the application and maintain safe operations.

Krasowski, Michael J.↗

Detector alignment for X-ray crystallography using Millepede-II

I describe a method for accurately refining the geometrical parameters of segmented X-ray area detectors on the basis of serial crystallography data, using 'Millepede' – an algorithm created for a very similar problem in high-energy physics. The Millepede method for serial crystallography builds on the approach of Brewster et al. [Acta Cryst. (2018), D74, 877–894], in which the detector parameters are refined simultaneously with the parameters for each individual crystal. This accounts for the mutual dependency between the parameters and thereby avoids the bias and slow convergence problems that have afflicted older approaches in which the deviations between observed and calculated Bragg peak positions were taken directly as the updates for the detector panel positions. The Millepede method uses the special structure of the least-squares normal equations to reduce them to a much smaller form that can be solved very quickly, even compared with the sparse matrix methods used previously. This makes it practical to refine the detector geometry frequently and thereby maintain accurate calibration without specialized alignment campaigns. Tilts of detector panels out of the plane can be reliably refined, as can the overall distance of the detector in the beam direction. With a simulated test case, the new method produced panel shifts within 7% of the correct values with only one iteration, and produced almost exactly correct shifts after a second iteration. A simulated out-of-plane panel rotation was correctly determined to within 0.001°. Applied to experimental data from an X-ray free-electron laser, the method increased the indexable fraction of frames from 30% to 91% in a single iteration, and to 96% after two further iterations. Computing the geometry updates on the basis of 2060 crystals took only 0.819 s on desktop computing hardware, including the time taken to read the required data from disk. The scaling was found to be very close to linear for up to 100 980 sets of crystal parameters, which took only 78.2 s to process under the same conditions. The method has been applied as part of a real-time feedback system at a synchrotron radiation beamline, in which an out-of-plane detector tilt of 0.04° was detected and corrected. Possible further applications are also described here.

Millepede-II↗