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109 results for “Electron Diffraction”

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zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from tilting microcrystals, with multiple sweeps of data collected on each crystal (Zn(II)-histidine) at 200 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). For each crystal, multiple subsequent sweeps (passes) at the same incident flux covering the same angular range are given. Zip files are named according to the format: <em>"CompoundName</em>_multipass_<em>RotationSpeed</em>_<em>FrameRate</em>_<em>SpotSize</em>_tiltseries_<em>Temperature</em>.zip"</p> <p>Where spot size 11 = 0.01 electrons per square Angstrom per second incident flux, and spot size 10 = 0.03 electrons per square Angstrom per second incident flux</p> <p>Diffraction datasets within each folder are named according to the format: <em>"CompoundName</em>_tiltseries_<em>AcceleratingVoltage</em>_<em>Temperature_IncidentFlux</em>_crystal#sweep#.mrc"</p> <p>Where crystal1sweep1 and crystal1sweep2 indicate the first and second sweep of data acquired on the same crystal, respectively.</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from tilting microcrystals, with multiple sweeps of data collected on each crystal (biotin, Zn(II)-methionine) at 200 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). For each crystal, multiple subsequent sweeps (passes) at the same incident flux covering the same angular range are given. Zip files are named according to the format: <em>"CompoundName</em>_multipass_<em>RotationSpeed</em>_<em>FrameRate</em>_<em>SpotSize</em>_tiltseries_<em>Temperature</em>.zip"</p> <p>Where spot size 11 = 0.01 electrons per square Angstrom per second incident flux, and spot size 10 = 0.03 electrons per square Angstrom per second incident flux</p> <p>Diffraction datasets within each folder are named according to the format: <em>"CompoundName</em>_tiltseries_<em>AcceleratingVoltage</em>_<em>Temperature_IncidentFlux</em>_crystal#sweep#.mrc"</p> <p>Where crystal1sweep1 and crystal1sweep2 indicate the first and second sweep of data acquired on the same crystal, respectively.</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from slowly rotating (0.09 degrees/second) microcrystals (biotin, Zn(II)-methionine, and Co(II)-porphyrin) at 200 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: <em>"CompoundName</em>_slowrotation_0pp09dps_tiltseries_<em>Temperature</em>.zip"</p> <p>Diffraction datasets within each folder are named according to the format: <em>"CompoundName</em>_slowrotation_0p09dps_tiltseries_<em>AcceleratingVoltage</em>_<em>Temperature</em>_series#.mrc"</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from static microcrystals on extra thick carbon support films (biotin, Zn(II)-methionine, Zn(II)-histidine) at 300 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .tvips file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: <em>"CompoundName</em>_<em>AcceleratingVoltage</em>_<em>Temperature</em>.zip"</p> <p>Diffraction datasets within each folder are named according to the format: <em>CompoundName</em>_static_diffraction_<em>AcceleratingVoltage</em>_<em>Temperature</em>_series#.tvips</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from static microcrystals (Zn(II)-histidine, Co(II) meso-tetraphenyl porphyrin, AVAAGA) at 300 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .tvips file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: <em>"CompoundName</em>_<em>AcceleratingVoltage</em>_<em>Temperature</em>.zip"</p> <p>Diffraction datasets within each folder are named according to the format: <em>CompoundName</em>_static_diffraction_<em>AcceleratingVoltage</em>_<em>Temperature</em>_series#.tvips</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from static microcrystals (AVAAGA, thiostrepton, proteinase K) at 200 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: <em>"CompoundName</em>_<em>AcceleratingVoltage</em>_<em>Temperature</em>.zip"</p> <p>Diffraction datasets within each folder are named according to the format: <em>CompoundName</em>_static_diffraction_<em>AcceleratingVoltage</em>_<em>Temperature</em>_series#.mrc</p> <p>AVAAGA datasets are additionally designated "AVAAGA-dry" or "AVAAGA-vitrified", identifying diffraction from crystals dry-mounted on grids and diffraction from crystals embedded in vitreous ice, respectively.</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

BIR-MicroED: selected area electron diffraction datasets from static microcrystals (thiostrepton) at 300 keV

<p>This deposition contains a series zip files each containing electron diffraction datasets in .tvips file format. Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature). Zip files are named according to the format: <em>"CompoundName</em>_<em>AcceleratingVoltage</em>_<em>Temperature</em>.zip"</p> <p>Diffraction datasets within each folder are named according to the format: <em>CompoundName</em>_static_diffraction_<em>AcceleratingVoltage</em>_<em>Temperature</em>_series#.tvips</p>

opencc-by-4.0Apr 2024View details →
zenodo40/100

Crystal structure of a 1:1 cocrystal of OPC-167832 with 2,5-dihydroxybenzoic acid using microcrystal electron diffraction

<p>The title cocrystal, OPC-167832 (5-(((3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl)methoxy)-8-fluoro-3,4-dihydroquinolin-2(1H)-one); C<sub>21</sub>H<sub>20</sub>ClF<sub>3</sub>N<sub>2</sub>O<sub>4</sub>) and 2,5-dihydroxybenzoic acid (2,5DHBA; C<sub>7</sub>H<sub>6</sub>O<sub>4</sub>) were successfully cocrystallized and the crystal structure was solved via microcrystal electron diffraction.</p>

opencc-by-4.0Oct 2022View details →
zenodo40/100

Electron Backscatter Diffraction Patterns from Titanium-added Interstitial-free Steel Containing Subgrains

<h3><strong>Associated Publications</strong></h3> <ol> <li>Bennett IV, T.J. and Taleff, E.M. Dynamic Grain Growth Driven by Subgrain Boundaries in an Interstitial-Free Steel During Deformation at 850 &deg;C. <em>Metall Mater Trans A</em> 55, 429&ndash;446 (2024). <a href="https://doi.org/10.1007/s11661-023-07256-w">https://doi.org/10.1007/s11661-023-07256-w</a>.</li> <li>Bennett IV, T.J. and Taleff, E.M. Imaging and Segmenting Grains and Subgrains using Backscattered Electron Techniques. Under review (2024).</li> </ol> <h3><strong>Data Description</strong></h3> <p>These data were collected by Thomas J. Bennett IV on July 28, 2022.</p> <p>The electron backscatter diffraction (EBSD) data and associated electron backscatter diffraction patterns (EBSPs) contained herein were acquired from a titanium-added interstitial-free (Ti-IF) steel sheet material containing numerous subgrains. &nbsp;The Ti-IF steel specimen that provided these data was ramped to 850 degrees Celsius over 30 minutes, held at this temperature for one hour, and then deformed at a constant true-strain rate of 10^-4 s^-1. Upon reaching a final true strain of 0.225, the specimen was air quenched while maintaining a constant stress to preserve subgrains formed during high-temperature deformation. The tensile specimen was cut from a Ti-IF steel sheet received in a hard as-rolled condition with the tensile axis parallel to the sheet rolling direction. EBSPs were acquired from a section cut from the center of the deformed gage region using a JEOL JSM-IT300HR SEM equipped with an EDAX Velocity EBSD camera at the Center for Integrated Nanotechnologies.</p> <p>The following conditions were used for EBSD data acquisition:</p> <table> <tbody> <tr> <td>Accelerating Voltage:</td> <td>20 kV</td> </tr> <tr> <td>Beam Current:</td> <td>80%</td> </tr> <tr> <td>Working Distance:</td> <td>20.0 mm</td> </tr> <tr> <td>Magnification:</td> <td>200&times;</td> </tr> <tr> <td>Dynamic Focus:</td> <td>44 (out of 255, arbitrary units)</td> </tr> <tr> <td>Specimen Tilt:</td> <td>70 degrees</td> </tr> <tr> <td>Scanning Grid Type:</td> <td>Square</td> </tr> <tr> <td>Step Size (x and y):</td> <td>0.5 &mu;m</td> </tr> <tr> <td>Scan Size:</td> <td>520 (across) &times; 340 (down) pixels</td> </tr> <tr> <td>EBSD Camera Resolution:</td> <td>446 &times; 446 pixels</td> </tr> <tr> <td>EBSD Camera Binning:</td> <td>1 &times; 1</td> </tr> <tr> <td>EBSD Camera Exposure Time:</td> <td>10 ms</td> </tr> <tr> <td>Frame Averaging:</td> <td>None</td> </tr> <tr> <td>Specimen Tensile Direction:</td> <td>Horizontal</td> </tr> <tr> <td>Specimen Rolling Direction:</td> <td>Horizontal</td> </tr> <tr> <td>Specimen Long Transverse Direction:</td> <td>Vertical</td> </tr> <tr> <td>Specimen Short Transverse Direction:</td> <td>Normal to plane</td> </tr> <tr> <td>Pattern Center (EMSphInx Convention):</td> <td>(x_pc, y_pc, L) = (-0.2 pixels, 112.76 pixels, 21736.4 &mu;m)</td> </tr> <tr> <td>EBSD Camera Elevation Angle:</td> <td>3 degrees</td> </tr> <tr> <td>EBSD Camera Screen Width:</td> <td>32 mm</td> </tr> <tr> <td>Pixel size on EBSD Camera Screen:</td> <td>71.749 &mu;m/pixel ( = 32000 &mu;m / 446 pixels)</td> </tr> </tbody> </table> <p>&nbsp;</p> <p><em>Note:</em> Conversions between different pattern center conventions may be found in the journal article below or at the following link:&nbsp;<a href="https://github.com/EMsoft-org/EMsoft/wiki/DItutorial">https://github.com/EMsoft-org/EMsoft/wiki/DItutorial</a>.</p> <ul> <li>Jackson, M.A., Pascal, E., and De Graef, M. Dictionary Indexing of Electron Back-Scatter Diffraction Patterns: a Hands-On Tutorial. <em>Integr Mater Manuf Innov</em> 8, 226&ndash;246 (2019). <a href="https://doi.org/10.1007/s40192-019-00137-4">https://doi.org/10.1007/s40192-019-00137-4</a>.</li> </ul> <h3><strong>File Descriptions</strong></h3> <ul> <li>Specimen_orientation.pdf - A schematic showing specimen reference directions and the orientation used for EBSD data acquisition.</li> <li>Patterns.zip - A compressed archive containing Patterns.up2. This file contains 16-bit EBSPs and is 70,336,697,616 bytes (70.3 GB) uncompressed.</li> <li>SHT_Indexed.ang - A file containing orientation data produced by indexing Patterns.up2 using EMSphInx. Orientations are represented by Euler angles (Bunge convention) and are to be interpreted using the EDAX Setting 2 convention (see MTEX documentation at <a href="https://mtex-toolbox.github.io/EBSDReferenceFrame.html">https://mtex-toolbox.github.io/EBSDReferenceFrame.html</a>).</li> <li>SHT_Indexed.h5 - A file in HDF5 format containing orientation data and other relevant information produced by indexing Patterns.up2 using EMSphInx.</li> <li>SHT_Indexed_IPFmap.png - An image of an inverse pole figure map colored with respect to the short transverse direction showing the data from SHT_Indexed.ang.</li> </ul> <p><em>Note:</em> The basic format of "up2" files is the following. The first 4 bytes provide the version number. The second 4 bytes are the width of the patterns. The third 4 bytes are the height of the patterns. The fourth 4 bytes are the starting position of the pattern image data.</p> <h3><strong>Acknowledgments</strong></h3> <p>The authors gratefully acknowledge support from the National Science Foundation under Grant DMR-2003312 and instrumentation under Grant DMR-9974476. &nbsp;The authors also gratefully acknowledge support from the U.S. Department of Energy, Office of High Energy Physics under Grant DE-SC0009960. &nbsp;This work was performed, in part, at the Center for Integrated Nanotechnologies, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Los Alamos National Laboratory (Contract 89233218CNA000001) and Sandia National Laboratories (Contract DE-NA-0003525). &nbsp;The authors thank Mr. Thomas Cayia (Arcelor Mittal) for providing the interstitial-free steel material used for this study.</p>

opencc-by-4.0Jun 2024View details →
zenodo40/100

Electron diffraction datasets of hen egg-white lysozyme

<p>Electron diffraction data of&nbsp;orthorhombic hen&nbsp;egg-white lysozyme, data were acquired from&nbsp;three-dimensional nanometre-sized crystals using the (continuous)&nbsp;rotation method with a&nbsp;Timepix hybrid pixel detector (Clabbers <em>et&nbsp;al.</em>, 2017, Acta Cryst. D73:&nbsp;738-748).&nbsp;</p>

opencc-by-4.0May 2018View details →
zenodo40/100

Rotation Electron Diffraction Processing (REDp) Dataset

<p>RED data collected on garnet crystal</p>

opencc-by-4.0Dec 2018View details →
zenodo40/100

Continuous rotation electron diffraction data for zeolite SSZ-27

<p><strong>Raw data for SSZ-27 (as-synthesized)</strong></p> <p>The directories labeled <strong>S**</strong> contain the raw data for the SSZ-27 phase, those labeled <strong>C**</strong> for the SSZ-26 impurity.</p> <p>Each directory contains the following:</p> <ul> <li>cred_log.txt, data collection log file</li> <li>SMV, Directory with data in SMV format and XDS processing output</li> <li>tiff, Directory with raw data in TIFF format</li> <li>tiff_image, Directory with defocused images showing the position of the crystal</li> <li>pets.pts, input file for PETS</li> <li>beam_centers.txt, a table with the position of the primary beam</li> </ul> <p>Then there are three other directories:</p> <ul> <li>XSCALE, contains the scaling results from the 14 SSZ-27 crystals that were used for the cluster analysis</li> <li>SSZ-26_cluster_1, contains the clustering results and refinement data for SSZ-26</li> <li>SSZ-27_cluster_4, contains the clustering results and refinement data for SSZ-27</li> </ul> <p>The data were collected using the software <a href="https://github.com/stefsmeets/instamatic">instamatic</a> and processed using <a href="http://xds.mpimf-heidelberg.mpg.de/">XDS</a>/<a href="https://github.com/stefsmeets/edtools">edtools</a>.</p>

opencc-by-4.0Apr 2019View details →
zenodo40/100

Serial Rotation Electron Diffraction (automated continuous RED) raw data sets

<p><strong>Serial Rotation Electron Diffraction (automated continuous RED) raw data sets </strong></p> <p>Containing:</p> <p>TIFF images for particle recognition</p> <p>SMV files for XDS processing</p> <p>XDS input files (automatically generated)</p>

opencc-by-4.0Jan 2019View details →
zenodo40/100

Ionisation of Atoms Determined by Kappa Refinement against 3D Electron Diffraction Data

<p>The following submission contains the data reduction and processing files, dynamical refinement files, refinement files for theoretical structure factors, and CIF files of five inorganic compounds: quartz, natrolite, borane, caesium lead bromide, and lutetium aluminium garnet collected by 3D electron diffraction (3D ED) for&nbsp;studying ionisation of atoms by kappa refinement against 3D ED data.</p> <p>The data set for quartz was collected using the precession-assisted 3D ED method and for borane, caesium lead bromide, and lutetium aluminium garnet was collected using the continuous-rotation 3D ED method. Two data sets were collected from the same crystal for natrolite using continuous-rotation and precession-assisted 3D ED method. The data reduction and processing were done using PETS2 (<em>1</em>) software and the dynamical refinements were performed using the JANA2020 (<em>2</em>) software. The refinements were performed in two primary stages: IAM refinements (without taking into consideration the effects of charge transfer between the atoms) and kappa refinements (by taking into consideration the effects of charge transfer between the atoms).</p> <p>The submission also contains JANA2020 files of refinements against theoretical structure factors obtained using periodic DFT calculations and on the structure model obtained after IAM refinements of each of the experimental data sets.</p> <p>The folders are divided according to the compounds. Each folder contains the relevant data reduction and processing files (PETS2 files), dynamical refinement files (JANA2020 files for IAM and kappa refinements), refinement files for theoretical structure factors (JANA2020 files for IAM and kappa refinements) and final CIF files (for IAM and kappa refinements).</p> <p>&nbsp;</p> <p>References</p> <p>1. &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; L. Palatinus, P. Br&aacute;zda, M. Jel&iacute;nek, J. Hrd&aacute;, G. Steciuk, M. Klementov&aacute;, Specifics of the data processing of precession electron diffraction tomography data and their implementation in the program PETS2.0. <em>Acta Cryst B</em> <strong>75</strong>, 512&ndash;522 (2019).</p> <p>2. &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; V. Petř&iacute;ček, L. Palatinus, J. Pl&aacute;&scaron;il, M. Du&scaron;ek, Jana2020 &ndash; a new version of the crystallographic computing system Jana. <em>Zeitschrift f&uuml;r Kristallographie - Crystalline Materials</em> <strong>238</strong>, 271&ndash;282 (2023).</p> <p>&nbsp;</p> <p>The following table summarises the crystallographic information and data collection parameters for the data sets.</p> <table> <tbody> <tr> <td> <p><strong>Crystal data</strong></p> </td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> </tr> <tr> <td> <p>Sample</p> </td> <td> <p>Quartz</p> </td> <td> <p>Natrolite</p> </td> <td> <p>Natrolite</p> </td> <td> <p>Borane</p> </td> <td> <p>Caesium lead bromide</p> </td> <td> <p>Lutetium Aluminium Garnet</p> </td> </tr> <tr> <td> <p>Chemical formula</p> </td> <td> <p>SiO<sub>2</sub></p> </td> <td> <p>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>12</sub>H<sub>4</sub></p> </td> <td> <p>Na<sub>2</sub>Al<sub>2</sub>Si<sub>3</sub>O<sub>12</sub>H<sub>4</sub></p> </td> <td>&nbsp; <p>B<sub>18</sub>H<sub>22</sub></p> </td> <td> <p>CsPbBr<sub>3</sub></p> </td> <td> <p>Lu<sub>3</sub>Al<sub>5</sub>O<sub>12</sub></p> </td> </tr> <tr> <td> <p>M<sub>r</sub></p> </td> <td> <p>60.1</p> </td> <td>380.2</td> <td> <p>380.2</p> </td> <td> <p>108.4</p> </td> <td> <p>579.8</p> </td> <td> <p>851.8</p> </td> </tr> <tr> <td> <p>Crystal system, space group</p> </td> <td> <p>Trigonal, P3<sub>2</sub>21</p> </td> <td> <p>Orthorhombic, Fdd2</p> </td> <td> <p>Orthorhombic, Fdd2</p> </td> <td> <p>Orthorhombic, Pccn</p> </td> <td> <p>Orthorhombic, Pbnm</p> </td> <td> <p>Cubic, Ia3 ̅d</p> </td> </tr> <tr> <td> <p>a, b, c (&Aring;)</p> </td> <td> <p>4.9012(24), 4.9012, 5.4068(26)</p> </td> <td> <p>18.3885(1), 18.7183(32), 6.6569(11)</p> </td> <td> <p>18.4125(9), 18.7073(7), 6.6306(2)</p> </td> <td> <p>10.7789(17), 11.9869(16), 10.7338(17)</p> </td> <td> <p>8.1189(4), 8.359(4), 11.7593(5)</p> </td> <td> <p>11.9105(4), 11.9105(4), 11.9105(4)</p> </td> </tr> <tr> <td> <p>&alpha;, &beta;, &gamma; (&deg;)</p> </td> <td> <p>90, 90, 120</p> </td> <td>90, 90, 90</td> <td> <p>90, 90, 90</p> </td> <td> <p>90, 90, 90</p> </td> <td> <p>90, 90, 90</p> </td> <td> <p>90, 90, 90</p> </td> </tr> <tr> <td> <p>V (&Aring;<sup>3</sup>)</p> </td> <td> <p>112.48(8)</p> </td> <td> <p>2291.31(54)</p> </td> <td> <p>2283.90(16)</p> </td> <td> <p>1386.87(36)</p> </td> <td> <p>798.1(1)</p> </td> <td> <p>1689.6(1)</p> </td> </tr> <tr> <td> <p>Z</p> </td> <td> <p>3</p> </td> <td> <p>8</p> </td> <td> <p>8</p> </td> <td> <p>4</p> </td> <td> <p>4</p> </td> <td> <p>8</p> </td> </tr> <tr> <td> <p>Crystal size (mm)</p> </td> <td> <p>0.0004</p> </td> <td> <p>0.0005</p> </td> <td> <p>0.0005</p> </td> <td> <p>0.0015</p> </td> <td> <p>0.0004</p> </td> <td> <p>0.0003</p> </td> </tr> <tr> <td> <p>&nbsp;</p> </td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> </tr> <tr> <td> <p><strong>Data collection</strong></p> </td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> </tr> <tr> <td> <p>Diffractometer</p> </td> <td> <p>TEM FEI Technei G2 20</p> </td> <td> <p>TEM FEI Technei G2 20</p> </td> <td> <p>TEM FEI Technei G2 20</p> </td> <td> <p>TEM FEI Technei G2 20</p> </td> <td> <p>TEM FEI Technei G2 20</p> </td> <td> <p>TEM FEI Technei G2 20</p> </td> </tr> <tr> <td> <p>3D ED method</p> </td> <td> <p>Precession</p> </td> <td> <p>Precession</p> </td> <td> <p>Continuous Rotation</p> </td> <td> <p>Continuous Rotation</p> </td> <td> <p>Continuous Rotation</p> </td> <td> <p>Continuous Rotation</p> </td> </tr> <tr> <td> <p>Detector</p> </td> <td> <p>Medipix 3 ASI Cheetah</p> </td> <td> <p>Medipix 3 ASI Cheetah</p> </td> <td> <p>Medipix 3 ASI Cheetah</p> </td> <td> <p>Medipix 3 ASI Cheetah</p> </td> <td> <p>Medipix 3 ASI Cheetah</p> </td> <td> <p>Medipix 3 ASI Cheetah</p> </td> </tr> <tr> <td> <p>Radiation source</p> </td> <td> <p>LaB<sub>6</sub></p> </td> <td> <p>LaB<sub>6</sub></p> </td> <td> <p>LaB<sub>6</sub></p> </td> <td> <p>LaB<sub>6</sub></p> </td> <td> <p>LaB<sub>6</sub></p> </td> <td> <p>LaB<sub>6</sub></p> </td> </tr> <tr> <td> <p>Radiation type</p> </td> <td> <p>Electron, &lambda; = 0.0251&nbsp;&Aring;</p> </td> <td> <p>Electron, &lambda; = 0.0251&nbsp;&Aring;</p> </td> <td> <p>Electron, &lambda; = 0.0251&nbsp;&Aring;</p> </td> <td> <p>Electron, &lambda; = 0.0251&nbsp;&Aring;</p> </td> <td> <p>Electron, &lambda; = 0.0251 &Aring;</p> </td> <td> <p>Electron, &lambda; = 0.0251 &Aring;</p> </td> </tr> <tr> <td> <p>Temperature (K)</p> </td> <td> <p>293</p> </td> <td> <p>95</p> </td> <td> <p>95</p> </td> <td> <p>100</p> </td> <td> <p>153</p> </td> <td> <p>153</p> </td> </tr> <tr> <td> <p>(sin &theta;/&lambda;)<sub>max</sub> (&Aring;<sup>&minus;1</sup>)</p> </td> <td> <p>1.25</p> </td> <td> <p>1.1</p> </td> <td> <p>1.00</p> </td> <td> <p>0.85</p> </td> <td> <p>1.00</p> </td> <td> <p>1.4</p> </td> </tr> <tr> <td> <p>No. of measured, independent and<br>observed [I &gt; 3&sigma;(I)] reflections</p> </td> <td> <p>3631, 1076, 1004&nbsp;</p> </td> <td> <p>15767, 6018, 4419&nbsp;</p> </td> <td> <p>12368, 4546, 4422&nbsp;</p> </td> <td> <p>30304, 13809, 4779</p> </td> <td> <p>16736, 422, 363</p> </td> <td> <p>23256, 1562, 1363</p> </td> </tr> <tr> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> </tr> <tr> <td> <p><strong>Software used</strong></p> </td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> <td>&nbsp;</td> </tr> <tr> <td> <p>Data collection</p> </td> <td> <p>RATS software</p> </td> <td> <p>RATS software</p> </td> <td> <p>RATS software</p> </td> <td> <p>RATS software</p> </td> <td> <p>RATS software</p> </td> <td> <p>RATS software</p> </td> </tr> <tr> <td> <p>Data reduction and processing</p> </td> <td> <p>PETS2</p> </td> <td> <p>PETS2</p> </td> <td> <p>PETS2</p> </td> <td> <p>PETS2</p> </td> <td> <p>PETS2</p> </td> <td> <p>PETS2</p> </td> </tr> <tr> <td> <p>Refinement</p> </td> <td> <p>JANA2020</p> </td> <td> <p>JANA2020</p> </td> <td> <p>JANA2020</p> </td> <td> <p>JANA2020</p> </td> <td> <p>JANA2020</p> </td> <td> <p>JANA2020</p> </td> </tr> <tr> <td> <p>DFT calculation</p> </td> <td> <p>WIEN2k and Crystal23</p> </td> <td> <p>WIEN2k</p> </td> <td> <p>Crystal23</p> </td> <td> <p>Crystal23</p> </td> <td> <p>WIEN2k</p> </td> <td> <p>WIEN2k</p> </td> </tr> <tr> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td>&nbsp;</td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td> <p>&nbsp;</p> </td> <td>&nbsp;</td> </tr> </tbody> </table>

opencc-by-4.0Mar 2024View details →
zenodo40/100

EBEC-MicroED: Static electron diffraction movies collected at different incident flux on a direct electron detector (DE Apollo) on crystals of (S,S) Jacobsen's salen ligand and Co(II) porphyrin, and diffraction tilt series recorded on the DE Apollo and CetaD detector for the same crystals of Jacobsen's Ligand

<p>This record contains static diffraction movies recorded from crystals of (S,S) Jacobsen's salen ligand, and crystals of Co(II) meso-tetraphenyl porphyrin, using a direct electron detector (DE Apollo) in counting mode. Data were acquired at varying different incident flux settings, referred to as "spotsize11" or "spot11" (0.01 electrons per square Angstoms per second),&nbsp; "spotsize10" or "spot10" (0.03 electrons per square Angstrom per second),&nbsp; "spotsize9" or "spot9" (0.045 electrons per square angstrom per second)", and "spotsize8" or "spot8" (0.084 electrons per sqaure Angstrom per second. For each compound these trials, the same crystal ("crystal1", "crystal2", etc.) was conserved across a dose series, and illuminated at each incident flux from lowest to highest in sequence.</p> <p>Additionally, this record contains diffraction tilt series acquired from crystals of (S,S) Jacobsen's ligand, first on the Ceta D and next on the DE Apollo, rotating at 2 degrees per second with an incident flux of either 0.01 or 0.045 electrons per square Angstrom per second.</p> <p>All data is saved in mrc file format, with the exception of movies from the Ceta D, which are saved in ser file format.</p>

opencc-by-4.0Sep 2024View details →
zenodo40/100

EBEC-MicroED: Electron diffraction tilt series recorded on crystals of thiostrepton at 100 K using a direct electron detector (DE Apollo)

<p>This record contains diffraction tilt series recorded from crystals of thiostrepton using a direct electron detector (DE Apollo) in counting mode. Incident flux and stage rotation rate are varied, for a total of three data collection settings giving variable total electron beam fluence. The keywords "fast" and "slow" in the titles of the dataset file indicates that the stage was rotated at either 2 degrees/second, or 0.33 degrees/second, respectively. Data were additionally acquired at two different incident flu settings, referred to as "spotsize11" or "spot11" (0.01 electrons per square Angstoms per second) and "spotsize9" or "spot9" (0.045 electrons per square angstrom per second)"</p> <p>The keyword "clfix" in certain file names indicates that these datasets are versions of the correspondingly named dataset file with an adjustment to pixel values to correct for coincidence loss applied to the frames.</p> <p>All data is saved in mrc file format.</p>

opencc-by-4.0Sep 2024View details →
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EBEC-MicroED: Electron diffraction tilt series recorded on crystals of (S,S) Jacobsen's salen ligand at 293 K using a direct electron detector (DE Apollo)

<p>This record contains diffraction tilt series recorded from crystals of (S,S) Jacobsen's salen ligand using a direct electron detector (DE Apollo) in counting mode. Incident flux and stage rotation rate are varied, for a total of three data collection settings giving variable total electron beam fluence. The keywords "fast" and "slow" in the titles of the dataset file indicates that the stage was rotated at either 2 degrees/second, or 0.33 degrees/second, respectively. Data were additionally acquired at two different incident flu settings, referred to as "spotsize11" or "spot11" (0.01 electrons per square Angstoms per second) and "spotsize9" or "spot9" (0.045 electrons per square angstrom per second)"</p> <p>All data is saved in mrc file format.</p>

opencc-by-4.0Sep 2024View details →
zenodo40/100

EBEC-MicroED: Electron diffraction tilt series recorded on crystals of biotin at 100 K using a direct electron detector (DE Apollo)

<p>This record contains diffraction tilt series recorded from crystals of biotin using a direct electron detector (DE Apollo) in counting mode. Incident flux and stage rotation rate are varied, for a total of three data collection settings giving variable total electron beam fluence. The keywords "fast" and "slow" in the titles of the dataset file indicates that the stage was rotated at either 2 degrees/second, or 0.33 degrees/second, respectively. Data were additionally acquired at two different incident flu settings, referred to as "spotsize11" or "spot11" (0.01 electrons per square Angstomr per second) and "spotsize9" or "spot9" (0.045 electrons per square angstrom per second)"</p> <p>All data is saved in mrc file format.</p>

opencc-by-4.0Sep 2024View details →
zenodo40/100

Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - sample treated_213nm

<p>RHEED intensity image dataset of sample &quot;<strong>treated_213nm&quot;</strong> in work &quot;Predicting Pulsed Laser Deposition SrTiO<sub>3 </sub>Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction.&quot;</p>

opencc-by-4.0Apr 2023View details →
zenodo40/100

Simulation of convergent-beam low-energy electron diffraction on Si(001) reconstructions

<p>Research results based upon this code and data are published at <a href="http://doi.org/10.1016/j.apsusc.2019.05.274">http://doi.org/10.1016/j.apsusc.2019.05.274</a>.</p> <p>The image simulation of convergent beam low energy electron diffraction (CBLEED) patterns are used to determine the sensitivity of CBLEED to atomic-scale displacements of several reconstructed variants of the Si(001) surface. The CAVATN code is used to determine the dynamical LEED intensities as a function of the incident electron energy (E<sub>i</sub>), angle (theta, phi) and at each of the miller indices (h,k), up to the third order. The CBLEED code then maps these intensities into reciprocal space, allowing the visualisation of CBLEED patterns to be made as a function of incident electron energy (E<sub>i</sub>). The data files for the CBLEED simulations are stored in a .txt format, with an accompanying .png image displaying the result of the simulation. This data is then analysed to determine the sensitivity of CBLEED patterns to small atomic displacements.</p> <p><strong>CAVATN code:</strong> Relevant documentation, electron beam files and the crystal structure files are all included. The CAVATN dynamical LEED package, developed from the CAVLEED code, is also included, where the code employs the muffin-tin potential approximation and involves a set of phase shifts for each atom type (which are treated as spherically symmetric scatterers in a crystal) that can be evaluated using phase shift calculation packages or tables. In the simulations performed here, complex phase shifts were used to simulate temperature dependent scattering effects at T = 293<em>K</em>. The inner potential is treated as energy independent and is split into real U<sub>or</sub> = 5 <em>eV </em>and imaginary U<sub>oi</sub>&nbsp;= 10 <em>eV </em>parts to respectively treat refraction (via the vacuum and muffin-tin zero difference) and absorption (due to in- elastic processes). Multiple scattering between atoms within a layer is calculated using the chain method and the multiple scattering between layers is included by the renormalized forward scattering perturbation method to evaluate the wave amplitudes of diffracted beams at the surface, and hence the intensities of the LEED pattern.</p> <p><strong>CBLEED code:</strong> The dynamical CBLEED package is included as &lsquo;cbleed_analysis_script.py&rsquo;, where the CBLEED patterns are simulated by uniformly partitioning the convergent cone into square areas as shown in Figure 1. An incident electron beam is located at the centre of these squares and defined directionally by &nbsp;and . Each of the incident electron beams of the sampled convergent cone was then used as input to the dynamical LEED program CAVATN, so that the corresponding multiply scattered intensities could be determined and mapped into reciprocal space. All the output data files from the CBLEED code is available for the following structures in the &lsquo;output&rsquo; folder; Si(001)-1x1-ideal, Si(001)-2x1-symmetric, Si(001)-2x1-buckled, Si(001)-2x1-dH (for dimer height displacements) and Si(001)-2x1-dL (for dimer length displacements). The data for the sensitivity to atomic-scale displacements is included in the &lsquo;sensitivity_output&rsquo; folder, which determines both the partial and whole pattern sensitivities.</p>

opencc-by-4.0May 2019View details →

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Allen Brain Atlas

Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.

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neuroscienceopenDocumentation, web resources, and API references are available online.
Last verified 2026-04-30Open record

Annotated Behaviour and Observability Dataset (ABODe)

ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.

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behavioral-neuroscienceopenThe DataShare record exposes download links for annotations, documentation, license text, and the zipped per-snippet data directory.
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DANDI Archive for NWB datasets

DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.

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electrophysiologyopenPublished Dandiset metadata and archive endpoints are available through the production DANDI API.
Last verified 2026-04-30Open record

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.

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behavioral-neuroscienceopenPublic sessions can be searched and loaded from the IBL public data server through ONE.
Last verified 2026-04-29Open record

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.

openneuro
neuroscienceopenPublished datasets are available on demand over the internet.
Last verified 2026-04-29Open record