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109 results for “Electron Diffraction”
BIR-MicroED: selected area electron diffraction tilt series datasets used to determine representative structures of biotin, Cu(II)-serine, Zn(II)-methionine, Zn(II)-histidine, and Co(II)-porphyrin
<div> <div> </div> </div> <div> <p>This deposition contains a series zip files each containing electron diffraction datasets in .mrc file format (except for the data collected from Co(II) porphyrin, which are 300 kV data in .tvips file format). Each folder collects data acquired from crystals of a particular compound under the same conditions (electron energy, temperature), where the reduced data from each were merged to determine a single representative structure of the compound by microED. Zip files are named according to the format: <em>"CompoundName</em>_<em>AcceleratingVoltage</em>_<em>Temperature_</em>structuredatasets.zip"</p> <p>Diffraction datasets within each folder are named according to the format: <em>CompoundName</em>_structuretiltseries_<em>AcceleratingVoltage</em>_<em>Temperature</em>_crystal#.mrc (or .tvips).</p> <p>All 200 kV datasets were collected with a rotation speed of 1 degree/second and an effective frame rate of 1 frame/second, with the exception of two Zn(II) methionine datasets collected with a frame rate of 3 frames/second. These are noted by the presence of "3fps" in the file name.</p> <p>All 300 kV datasets were collected with a rotation speed of 0.03 degrees/second and a frame rate of 0.5 frames/second.</p> </div>
Electron diffraction datasets from IRELOH and EPICZA
<p>Electron diffraction datasets of IRELOH (CDCC IREOLH01) and EPICZA (CDCC BISGAO), collected on a FEI Polara operated at 200 kV with a 512x512 pixels Timepix hybrid pixel detector (55x55 micron pixel size). </p>
Scanning precession electron diffraction data of partly overlapping magnesium oxide nanoparticles
<p>Scanning precession electron diffraction (SPED) data of cubical magnesium oxide (MgO) nanoparticles are provided. The MgO particles in the data are partly overlapping and some share the same orientation. The dataset was used for demonstration of nanocrystal segmentation in SPED data, which is presented in the article entitled "Nanocrystal segmentation in scanning precession electron diffraction data" [1]. In this publication, two methods for nanocrystal segmentation are presented based on; i) virtual dark-field imaging and ii) non-negative matrix factorisation, both incorporating watershed image segmentation. The workflows and code used for the segmentation demonstrated in the article are available open-source [2].</p> <p>Here, two files are provided based on one raw SPED dataset:</p> <p>- "SPED_MgO_1.hdf5": raw data cropped in navigation space to dimensions (219, 228|144, 144) and exported to hdf5, and</p> <p>- "SPED_MgO.hdf5": the same data binned by 2 in navigation space to yield dimensions (109, 114|144, 144).</p> <p>Adrian Lervik is acknowledged for specimen preparation.</p> <p>[1] Bergh, T., Johnstone, D., Crout, P., Høgås, S., Midgley, P., Holmestad, R., Vullum, P. And Van Helvoort, A. (2019), Nanocrystal segmentation in scanning precession electron diffraction data. Journal of Microscopy. doi:<a href="https://doi.org/10.1111/jmi.12850">10.1111/Jmi.12850</a></p> <p>[2] Duncan N. Johnstone, Phillip Crout, Simon Høgås, Tina Bergh, Joonatan Laulainen, & Stef Smeets. (2019). pyxem/pyxem-demos: pyxem-demos v0.10.0. Zenodo. http://doi.org/10.5281/zenodo.3533670</p> <p> </p>
Determination of the spinel content in cycled Li1.2Ni0.13Mn0.54Co0.13O2 using three-dimensional electron diffraction and precession electron diffraction
<p>(hkl,I)-lists for the 150 times cycled NMC material</p>
Precession electron diffraction dataset from nanocrystaline Cu-Ag (FCC) alloy collected on pixelated TVIPS detector
<p><strong>Summary</strong></p> <p>This is a 4D scanning transmission electron microscopy (4D STEM) dataset collected in near-parallel beam + precession mode (PED) of a nanocrystaline Cu-Ag sample, collected on a high quality pixelated detector inside a transmission electron microscope (TEM). The dataset is represented by a 4D array, comprising a 2D grid of scan points, with each scan point mapping to an electron diffraction spot pattern. From this kind of dataset it is possible to derive local crystal orientations and strains. The dataset is in the .hspy format, the native hdf5 format of the <a href="https://zenodo.org/record/5082777">HyperSpy</a> library.</p> <p><strong>Material and sample preparation</strong></p> <p>The sample was prepared from a nanocrystalline Cu-Ag thin film. The details are described in the following publication:</p> <p>Oellers, Tobias, et al. "Thin-Film Microtensile-Test Structures for High-Throughput Characterization of Mechanical Properties." <em>ACS combinatorial science</em> 22.3 (2020): 142-149.</p> <p>The sample was prepared by punching a 3 mm diameter disc out, gluing this to a Cu single hole grid, and subsequent Ar+ ion milling until perforation at 2.5 kV using a PIPS II system (Gatan). The rough milling was followed with a 0.5 kV cleaning.</p> <p><strong>Microscopy parameters and data collection</strong></p> <p>PED was performed in a JEM-2200FS TEM (JEOL) operating at 200 kV. The microscope was operated in nanobeam diffraction mode with the smallest spot size (Spot 5) and a condenser aperture size of 10 μm. The probe diameter was ~ 1 nm with a convergence angle of ~2 mrad. A precession frequency of 100 Hz and a precession angle of 0.5° were applied during the nanobeam scanning. Data was collected on a TemCam-XF416 pixelated CMOS<br> detector (TVIPS). The camera length as indicated in the operating software was 15 cm, and collected images were 2k by 2k in size (hardware binning of 2). The dataset comprises 150x150 scan points and pixel depth is 2 bytes (unsigned 16 bit integers).</p> <p><strong>Data processing</strong></p> <p>The raw data was collected in the .tvips format. The original dataset was about 100 GB in size and is no longer available. This dataset was converted to the .hspy format using the <a href="https://zenodo.org/record/4288857">TVIPSconverter</a> tool. In the conversion, the images were binned by an additional factor of 4 to a final size of 512x512. A median filter was also applied to the data.</p> <p><strong>Data characteristics</strong></p> <p>Scan shape: 150 x 150 pixels</p> <p>Image shape: 512 x 512 pixels</p> <p>Pixel dtype: uint16</p> <p>Scan pixel size: about 1 nm, scan dimensions were never calibrated</p> <p>Image pixel size: 0.01155 Angstrom<sup>-1</sup> / pixel</p> <p>Note that scale factors are not stored in the dataset! The dataset can be read with HyperSpy using the load function (please see the HyperSpy documentation). It is highly recommended to have a working installation of <a href="https://zenodo.org/record/5075520">Pyxem</a> as well to process the data.</p> <p><strong>Additional notes</strong></p> <p>Data was collected with the TVIPS scan generator which can be quite buggy. A large number of the scan points are worthless. In addition, the detector background was not properly subtracted in the image, resulting in striped artifacts in the images.</p>
Electron Diffraction (MicroED) Datasets for Finafloxacin (+)-Menthyl Carbamate (Glacios TEM with a CETA-D)
<p>Electron diffraction datasets collected from finafloxacin (+)-menthyl carbamate </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: finafloxacin (+)-menthyl carbamate (C<sub>31</sub>H<sub>37</sub>FN<sub>4</sub>O<sub>6</sub>, 7-[(4aS,7aS)-4-({[(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)-octahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid), 580.66 g/mol</p> <p>Structure: CCDC 2168647</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> <p> </p> <p>Funding: NIH/NIGMS grant number 1R44GM140666</p>
Electron Diffraction (MicroED) Datasets for Finafloxacin (1R)-(+)- α-Methylbenzyl Isocyanate Type A, Unsolved (Glacios TEM with a CETA-D)
<p>Electron diffraction datasets collected from crystals likely composed of finafloxacin and (1R)-(+)- α-methylbenzyl isocyanate</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, nano probe mode, 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: finafloxacin (C<sub>20</sub>H<sub>19</sub>FN<sub>4</sub>O<sub>4</sub>,<sub> </sub>7-[(4aS,7aS)-octahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid) and (1R)-(+)- α-methylbenzyl isocyanate</p> <p>Structure: Unsolved as of 11/9/2022</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> <p> </p> <p>Funding: NIH/NIGMS grant number 1R44GM140666</p>
Electron backscatter diffraction data and backscatter electron images from four conditions from a cold-rolled and annealed Al-Mn alloy
<p>Raw electron backscatter diffraction (EBSD) datasets and backscatter electron (BSE) images acquired from four conditions from a cold-rolled and non-isothermally annealed Al-Mn alloy: as deformed, 175 C, 300 C and 325 C. The heating rate is 50 C/h. The material is recovered after 300 C and partly recrystallized after 325 C.</p> <p>The data forms part of the supplementary material to the paper "Orientation dependent pinning of (sub)grains by dispersoids during recovery and recrystallization in an Al-Mn alloy" (2023) published in Acta Materialia (https://doi.org/10.1016/j.actamat.2023.118761).</p> <p>The data was acquired in order to study the effect of particles on recovery and recrystallization in the Al-Mn alloy. The particles detected in the BSE images were inserted in the EBSD map after the EBSD map had been corrected for distortions by image registration using the BSE images.</p> <p>See the <em>GitHub</em> repository https://github.com/hakonanes/p-texture-al-mn-alloys for <em>Jupyter</em> notebooks and <em>MTEX</em> (<em>MATLAB</em>) and <em>ImageJ</em> scripts used to process and analyze the data.</p> <p>See the <em>README.txt </em>file for a description of the file contents.</p>
Electron backscatter diffraction patterns from a single crystal silicon wafer
<p>An electron backscatter diffraction (EBSD) dataset of (50, 50) patterns of (480, 480) pixel resolution from a single crystal silicon wafer. The patterns were acquired on a NORDIF UF-1100 detector in a Zeiss Supra 55 VP FEG SEM operated at 20 kV. The working distance was 16.1 mm and the nominal sample tilt was 70<span class="math-tex">\(^{\circ}\)</span>. The nominal step size is 40 μm, so the scan covers a nominal area of (2 x 2) μm<sup>2</sup>.</p> <p>The patterns are stored in NORDIF's binary file format (Pattern.dat) with the top-left pixel in the top-left pattern as the first byte, and the bottom-right pixel in the bottom-right pattern as the last byte. The patterns can be opened in for example the open-source Python package kikuchipy (https://github.com/pyxem/kikuchipy) with the following commands:</p> <pre><code class="language-python">import kikuchipy as kp s = kp.load("Pattern.dat")</code></pre>
3D Electron Diffraction Dataset of CAU-55-Cl
<p>3D electron diffraction dataset in XDS format and a video (AVI) showing the diffraction frames (sped up approximately 50 times). The material studied is CAU-55-Cl.</p> <p> </p> <p>Data were collected on a JEOL JEM-2100 LaB<sub>6</sub> microscope with an Amsterdam Scientific Instruments TimePix detector, using the software <a href="https://zenodo.org/record/3470096">Instamatic</a>.</p>
Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - sample untreated_162nm
<p>RHEED intensity image dataset of sample <strong>untreated_162nm</strong> in work "Predicting Pulsed Laser Deposition SrTiO<sub>3 </sub>Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."</p>
Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - sample treated_81nm
<p>RHEED intensity image dataset of sample <strong>t0.08</strong> in work "Predicting Pulsed Laser Deposition SrTiO<sub>3 </sub>Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."</p>
Data in support of: `Two-Dimensional Strain Mapping with Scanning Precession Electron Diffraction: An Investigation into Data Analysis Routines'
<p>This upload contains data in support of a manuscript currently under review. More details to follow.</p>
Medium-definition electron diffraction patterns and their indexation results of a polycrystal Ni sample
<p>This dataset of 33750 medium-resolution (228×320) electron diffraction patterns are acquired from an unstrained polycrystal Ni sample. Traces of scratches are visible in the indexation results. The sample tilt angle is 70°, acceleration voltage 20kV, and the step size 0.61 µm. The indexation results, in format 'mat' of Matlab, by Hough indexation, IDIC6&3 and IDIC-G6&3 are also provided. For each diffraction pattern, 6 parameters calibrated by IDIC and IDIC-G 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>
Predicting Pulsed-Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - gaussian_fit_parameters - sample untreated_162nm
<p>RHEED raw dataset and Gaussia fitting parameter dataset for sample "untreated_162nm" in work "Predicting Pulsed Laser Deposition SrTiO<sub>3 </sub>Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."</p>
Compressed Datasets for Work "Predicting Pulsed-Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction"
<p>Compressed version of RHEED image datasets and Gaussia fitting parameter datasets for samples "treated_213nm", "treated_81nm" and "untreated_162nm" in the work "Predicting Pulsed Laser Deposition SrTiO<sub>3 </sub>Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."</p>
Dataset for: Characterization of local deformation around hydrides in Zircaloy-4 using conventional and high angular resolution electron backscatter diffraction
<p>Datasets for:</p> <p>Characterization of local deformation around hydrides in Zircaloy-4 using conventional and high angular resolution electron backscatter diffraction</p> <p>Ruth M. Birch<sup>1,2*</sup>, James O. Douglas<sup>1</sup>, T. Ben Britton<sup>1,2</sup></p> <ol> <li>Department of Materials, Imperial College London, Exhibition Road, London, UK, SW7 2AZ</li> <li>Department of Materials Engineering, University of British Columbia, Frank Forward Building, 309-6350 Stores Road, Vancouver, BC, Canada V6T 1Z4</li> </ol> <p>---</p> <p>h5 files for all 4 examples used in the paper:</p> <ul> <li>Example 1: JustGBZrH_20kx_WD16-4_DD17_T10-4_Px100nm</li> <li>Example 2: ZrH_WD16_DD18_T10-4_px0</li> <li>Example 3: 20kx_WD16-5_DD17_T10-2_Px0-1um.</li> <li>Example 4: ZrHSpikes_18kx_WD16-5_DD17_T10-2_Px100nm<br> </li> </ul> <p>High quality figures for all figures in the paper (600 dpi)</p> <p> </p>
Datesets and images of the publication "Probing crystallinity and grain structure of 2D materials and 2D-like van der Waals heterostructures by low-voltage electron diffraction" - DOI: 10.1002/pssa.202300148
<p>Datasets and images of the publication "Probing crystallinity and grain structure of 2D materials and 2D-like van der Waals heterostructures by low-voltage electron diffraction" - DOI: <a href="https://www.doi.org/10.1002/pssa.202300148">10.1002/pssa.202300148</a></p> <p>The Jupyter Notebooks for analyzing the datasets and generating all the figures are available at <a href="https://gitlab.com/JohMu/tds_hios_manuscript">https://gitlab.com/JohMu/tds_hios_manuscript</a>.</p> <p><strong>MoS<sub>2</sub> 4D-STEM dataset:</strong></p> <ul> <li>192x192 scan pixels</li> <li>200x200 camera pixels</li> <li>Acceleration voltage: 20kV</li> <li>Camera length: 10.56 mm</li> <li>Camera pixel size: 4x5.86 µm = 23.44 µm (original dataset with 4x4 binning)</li> <li>File location: Figure 2_3_S1.zip -> 230101205338_20kV_hexz0_camz-10_posi_003_good\scan_data_bin2_centered_crop-imgNx200.h5</li> <li>The original raw dataset (23 GB, 192x192 scan pixels, 800x800 camera pixels, camera pixel size: 5.86 µm), the scan reference dataset and the Jupyter Notebook for the shift-compensation is available from the author. The dataset uploaded here is binned by a factor of 4 and shift-compensated.</li> </ul> <p><strong>C60/MoS<sub>2</sub> 4D-STEM dataset:</strong></p> <ul> <li>113x113 scan pixels</li> <li>512x512 camera pixels</li> <li>Acceleration voltage: 20kV</li> <li>Camera length: 20.56 mm</li> <li>Camera pixel size: 5.86 µm</li> <li>File location: Figure 4.zip -> scan_data_scan113x113_gzip.h5</li> </ul> <p> </p>
Quantitative three-dimensional local order analysis of nanomaterials through electron diffraction
<p>Diffraction data for Yttrium Stabilized Zirconia Zr<sub>0.82</sub>Y<sub>0.18</sub>O<sub>1.91</sub></p> <p><strong>Electron diffraction data:</strong></p> <ul> <li>FEI Tecnai G2 microscope</li> <li>200 keV electrons</li> <li>Cheetah detector (ASI, 512 x 512 pixel)</li> <li>Condenser Aperature 10 micrometer, spot size 9</li> <li>Exposure 1.512 s / frame, rotation 0.4 deg/frame</li> <li>raw data was processed with PETS2 (http://pets.fzu.cz/)</li> </ul> <p><strong>X-ray diffraction data:</strong></p> <ul> <li>Rigaku Syneergy S diffractometer</li> <li>Eiger 1M Detector, energy discriminating threshold 17.4 keV</li> <li>Mo K-alpha radiation</li> <li>120 s exposure time, 0.5 deg/frame</li> <li>Raw data can be processed with CrysAlisPro (https://www.rigaku.com/products/crystallography/crysalis)</li> </ul> <p><strong>Neutron diffraction data:</strong></p> <ul> <li>D19 ILL, Grenoble</li> <li>0.95 A wavelength</li> <li>80 s exposure time, 0.1 deg/frame</li> <li>Raw data can be accessed at <a href="http://dx.doi.org/10.5291/ILL-DATA.5-13-277">doi:10.5291/ILL-DATA.5-13-277</a> and processed with the Instrument software Int3D (https://www.ill.eu/users/instruments/instruments-list/d19/software)</li> </ul> <p><strong>Reciprocal space reconstructions and 3D-DeltaPDF maps</strong></p> <p>Provided in .h5 format and can be vizualized e.g. with DISCUS (https://github.com/tproffen/DiffuseCode/releases) or DensityViewer (https://github.com/aglie/DensityViewer/releases/)</p>
Dataset for "Scanning precession electron diffraction data analysis approaches for phase mapping of precipitates in aluminium alloys"
<p>Data needed to reproduce the results in "Scanning precession electron diffraction data analysis approaches for phase mapping of precipitates in aluminium alloys" published in Ultramicroscopy. The codes and notebooks can be found at 10.5281/zenodo.8321258.</p>
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