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666 results for “Diffraction”
Evidence for phonon hardening in laser excited gold using x-ray diffraction at a hard x-ray free electron laser
<p>Studies of laser-heated materials on femtosecond timescales have shown that the interatomic potential can be perturbed at sufficiently high laser intensities. For gold, it has been postulated to undergo a strong stiffening leading to an increase of the phonon energies, known as phonon hardening. Despite efforts to investigate this behavior, only measurements at low absorbed energy density have been performed, for which the interpretation of the experimental data remains ambiguous. By using in situ single-shot x-ray diffraction at a hard x-ray free electron laser, the evolution of diffraction line intensities of laser-excited Au to a higher energy density provides evidence for phonon-hardening.</p>
X-ray powder diffraction patterns of Bi2-xSbxTe3 (x=0, 0.2, 0.5, 1.5, 1.8, 2.0) nanoparticles
<p>The data set contains X-ray powder diffraction patterns of Bi<sub>2-x</sub>Sb<sub>x</sub>Te<sub>3</sub> (x=0, 0.2, 0.5, 1.5, 1.8, 2.0) nanoparticles, synthesized utilizing microwave-assisted heating. Diffraction data were collected at room temperature using a benchtop Rigaku MiniFlex 600 diffractometer with Bragg-Brentano θ-2θ geometry. An X-ray tube with a copper anode (Cu Kα radiation, λ =1.5418 Å), operated at U = 40 kV and I = 15 mA, was used as a source. Bi<sub>2</sub>Te<sub>3</sub> and Sb<sub>2</sub>Te<sub>3</sub> are isostructural and crystallize in a rhombohedral crystal system with the space group R-3m (No. 166).</p> <p> </p>
X-ray diffraction dataset for the complex between CNPase and nanobody 5E
<p>Raw diffraction data for the crystal structure between mouse CNPase catalytic domain and anti-CNPase nanobody 5E.</p>
X-ray diffraction data for CNPase bound to nanobody 8C
<p>X-ray diffraction dataset for complex between mouse CNPase catalytic domain and anti-CNPase nanobody 8C</p>
X-ray diffraction data for the complex between CNPase and nanobody 7E
<p>X-ray diffraction dataset for the complex between mouse CNPase catalytic domain and nanobody 7E. </p>
X-ray diffraction data for the complex between CNPase and nanobody 10E
<p>X-ray diffraction dataset for the complex between mouse CNPase catalytic domain and anti-CNPase nanobody 10E</p>
Electron Beam-Induced Artifacts in SEI Characterization: Evidence from Controlled-Dose Diffraction Studies (datasets)
<p>The paper has been published, and the data were updated following the revision. The dataset is now publicly available. All data are in DM4 format, and we recommend using Py4DSTEM or other tools after processing them to h5 format.</p>
E/Z Switchable Ring-closing Metathesis in 1,1′-Bis(but-3-enyl)ferrocenes: Synthesis and Characterization of Axially Chiral ansa[6]-Ferrocenes. Raw Diffraction Data.
<p>Diffraction data for article <em>E</em>/<em>Z</em> Switchable Ring-Closing Metathesis in 1,1′-Bis(but-3-enyl)ferrocenes: Synthesis and Characterization of Axially Chiral <em>ansa</em>[6]-Ferrocenes doi: <a href="https://doi.org/10.1021/acs.organomet.2c00163">10.1021/acs.organomet.2c00163</a>. The crystal structures have been deposited in CSD with CCDC numbers 2093772-2093775, 2094024-2094027 and 2119739.</p>
X-ray diffraction data, crystallographic information file, infrared spectra, and LA-ICP-MS depthprofiles of davemaoite
<p>Calcium silicate perovskite, CaSiO3, is arguably the most geochemically important phase in the lower mantle, because it concentrates elements that are incompatible in the upper mantle, including the heat-generating elements thorium and uranium, which have half-lives longer than the geologic history of Earth. We report CaSiO3-perovskite as an approved mineral (IMA2020-12a) with the name davemaoite. The natural specimen of davemaoite proves the existence of compositional heterogeneity within the lower mantle. Our observations indicate that davemaoite also hosts potassium in addition to uranium and thorium in its structure. Hence, the regional and global abundances of davemaoite influence the heat budget of the deep mantle, where the mineral is thermodynamically stable.</p>
Supporting data for "Understanding the impact of precipitation kinetics on the electrochemical performance of lithium–sulfur batteries by operando X-ray diffraction"
<p>This is the dataset of electrochemical and operando X-ray diffraction measurements for our publication "Understanding the impact of precipitation kinetics on the electrochemical performance of lithium–sulfur batteries by operando X-ray diffraction". This archive contains the raw data and scripts written in R used in the analysis and presentation of the results in this manuscript.</p> <p>Abstract of the manuscript:</p> <p>The complex reaction mechanism of the lithium–sulfur battery system consists of repetitive dissolution and precipitation of the sulfur-containing species in the positive electrode. In particular, the precipitation of lithium sulfide (Li<sub>2</sub>S) during discharge has been considered a crucial factor for obtaining a high degree of active material utilization. Here, the influence of electrolyte amount, electrode thickness, applied current and electrolyte salt on the formation of Li<sub>2</sub>S is systematically investigated in a series of operando X-ray diffraction experiments. Through a combination of simultaneous diffraction and resistance measurements, the evolution of Li<sub>2</sub>S is directly correlated to the variation in internal resistance and transport properties inside the positive electrode. The correlation indicates that at different stages, the Li<sub>2</sub>S precipitation both facilitates and impedes the discharge process. This information on the kinetics of Li<sub>2</sub>S formation offers mechanistic explanations for the strong impact of different electrochemical cell parameters on the cell performance and thus, directions for holistic optimizations to achieve high sulfur utilization.</p> <p> </p>
Serial rotation electron diffraction raw data
<p>Raw serial rotation electron diffraction datasets from two mixture zeolite products (Product A and B). </p> <p>The data folder of each Product contains the following directories or files:</p> <ul> <li>calib: contains the calibration files for the experiment</li> <li>experiment: contains the raw rotation diffraction data (SMV format) for the identified crystals at each stage position.</li> <li>Dials_indexing.log: contains the on-the-fly unit cell identification results from DIALS</li> </ul> <p>The datasets for the structure determination of IWV, CTH, and RTH phases in Product A are listed in the folder named "Selected_datasets_for_structure_determination_of_IWV_CTH_and_RTH_in_Product_A"</p> <p>The Python code to process the data can be found at https://doi.org/10.5281/zenodo.5727189</p>
Multicrystal Diffraction Patterns in Cryocrystallography
<p>Multicrystal Diffraction Patterns in Cryocrystallography</p> <p>Data collection: Pohang Light Source II</p> <p>Sample: Lysozyme</p>
Electron Diffraction (MicroED) Datasets for C16H20FN5OS (Glacios TEM with a CETA-D)
<p>Electron diffraction datasets collected from a chiral pharmaceutical compound.</p> <p> </p> <p>Microscope: Thermo Fisher Scientific Glacios Transmission Electron Microscope (SDC1G at NanoImaging Services)</p> <p>Camera: Ceta-D camera (bin 2x2, rolling shutter, noise reduction mode)</p> <p>Collection Software: Leginon (Cheng, et. al. 2021)*</p> <p>Collection Parameters: 200keV, -193C, 20um C2, gun lens 7.1, spot size 10, parallel beam, calibrated camera length 1065.7mm (1100 in UI), oscillation per frame 0.89deg, 222ms exposure time, tilt speed 4 deg/s, rotation -60 to +60 (first ~8 degrees not recorded)</p> <p>Grid: Ted Pella 01840</p> <p>Sample: C<sub>16</sub>H<sub>20</sub>FN<sub>5</sub>OS, (N‐(5‐{[(3R)‐3‐[(5‐fluoropyrimidin‐2‐yl)methyl]piperidin‐1‐yl]methyl}‐1,3‐thiazol‐2‐yl)acetamide, 349.43 g/mol</p> <p>Structure: CCDC 2130868</p> <p> </p> <p>* Data have been converted to SMV format with the addition of an offset value to remove negative pixel values. This offset value can be found in the image headers, along with a suggested pedestal value.</p> <p> </p> <p>A data processing tutorial is available for processing data collected with this setup using DIALS: </p> <p><a href="https://dials.github.io/documentation/tutorials/3DED/Biotin.html">https://dials.github.io/documentation/tutorials/3DED/Biotin.html</a></p>
High-definition electron diffraction patterns and their indexation results of a single crystal Si wafer
<p>This dataset of 1200 high-resolution (1140×1600) electron diffraction patterns are acquired from an unstrained single crystal Si wafer of (100) surface. The nominal sample tilt angle is 70°, and the step size 50µm. The indexation results, in format 'mat' of Matlab, by IDIC-EBSD with uniform and non-uniform energy levels are also provided. For each diffraction pattern, 6 parameters are stocked, i.e. the Euler angle triplet (expressed in radians and with reference to the EBSD detector) and the coordinates of the projection center.</p> <p>This dataset was discussed in a published paper (https://doi.org/10.1016/j.matchar.2022.111909).</p>
Data for: Optimizing broad ion beam polishing of zircaloy-4 for electron backscatter diffraction analysis
<p>This is the data to support a manuscript that explores how to optimize sample preparation of zircaloy-4 using broad ion beam polishing.</p> <p>If you wish to follow-up on this data, please contact Dr Ben Britton (ben.britton@ubc.ca).</p> <p>The data was collected and curated by Ning Fang and Ruth Birch.</p>
Diffraction-Limited Molecular Cluster Quantification with Bayesian Nonparametrics: 35 Binding Site Data
<p>This is the original data for the manuscript "Diffraction-Limited Molecular Cluster Quantification with Bayesian Nonparametrics" by J Bryan IV, I Sgouralis, and S Presse. This repository contains movies of DNA origami with 35 binding sites.</p>
Raw diffraction data for structure of SARS-CoV-2 main protease with Z31792168 (PDB: 7QT5)
<p>Raw diffraction data for SARS-CoV-2 main protease in complex with Z31792168 collected as part of an room-temperature crystallographic ligand screening experiments on beamline i24 at Diamond Light Source.</p>
Raw diffraction data for structure of SARS-CoV-2 main protease with Z4439011520 (PDB: 7QT7)
<p>Raw diffraction data for SARS-CoV-2 main protease in complex with Z4439011520 collected as part of an room-temperature crystallographic ligand screening experiments on beamline i24 at Diamond Light Source.</p>
Raw diffraction data for structure of SARS-CoV-2 main protease with Z1367324110 (PDB: 7QT6)
<p>Raw diffraction data for SARS-CoV-2 main protease in complex with Z1367324110 (SMILES:CN1CCCC=2C=CC(=CC12)S(=O)(=O)N) collected as part of an room-temperature crystallographic ligand screening experiments on beamline i24 at Diamond Light Source.</p>
Raw diffraction data for structure of SARS-CoV-2 main protease with Z4439011584 (PDB: 7QT9)
<p>Raw diffraction data for SARS-CoV-2 main protease in complex with Z4439011584 collected as part of an room-temperature crystallographic ligand screening experiments on beamline i24 at Diamond Light Source.</p>
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Allen Brain Atlas
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Annotated Behaviour and Observability Dataset (ABODe)
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DANDI Archive for NWB datasets
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International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.