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109 results for “Electron Diffraction”
Refinements for Bragg coherent X-ray diffraction imaging: Electron backscatter diffraction alignment and strain field computation
<p>Here we present the final crystal reconstructions and analysis scripts for the paper titled "Refinement for Bragg coherent X-ray diffraction imaging: Electron backscatter diffraction alignment and strain field computation" published in Journal of Applied Crystallography, 55, 2022. Please see the README file for more information.</p>
Rapid structure determination of microcrystalline molecular compounds using electron diffraction (nanoArgovia Project A3EDPI)
<p>The are the data linked to the publication "Rapid structure determination of microcrystalline molecular compounds using electron diffraction", <a href="https://doi.org/10.1002/anie.201811318">10.1002/anie.201811318</a>. Electron Diffraction data collected with an EIGER X 1M detector (DECTRIS Ltd.).</p> <p>Each tar file contains the raw files in HDF5 format, together with the XDS.INP file used for data integration. Images of the respective crystals have '_img_' in their file names. The log files for recording the stage alpha angle are included with the same name and suffix .txt. See publication for details.</p> <p>NB: The meta-data in the HDF5 files have no meaning, please refer to the respective XDS.INP file for respective information.</p> <p>The crystallographic data (CIF-files) have been uploaded to the ICSD (High--throughput Structural Chemistry with Electron Diffraction) and CSD (https://www.ccdc.cam.ac.uk/) respectively:</p> <p>Paracetamol from Grippostad CCDC 1856579<br> electron structure of MBBF4 CCDC 1856580</p> <p>ZSM-5 x227 CSD 1856581</p> <p>ZSM-5 x331 CSD 1856582</p> <p>ZSM-5 x79 CSD 1856583<br> ZSM-5 x811 CSD 1856584</p> <p> </p>
Data bundle for "Advancing characterisation with statistics from correlative electron diffraction and X-ray spectroscopy, in the scanning electron microscope"
<p>Prepared by Tom McAuliffe (t.mcauliffe17@imperial.ac.uk)</p> <p>This repository is a release of the raw data and analysis results for: 'Advancing characterisation with statistics from correlative <br> electron diffraction and X-ray spectroscopy, in the scanning electron microscope' <br> https://doi.org/10.1016/j.ultramic.2020.112944</p> <p>The raw data is given as 'RawData.h5' - this contains patterns, spectra, and metadata in the Bruker-exported format.</p> <p>Outputs of our analysis code (which will be made available via AstroEBSD) are contained in 'PCA_Outputs' subfolders. Exported plots and <br> .mat results files are contained within. These are organised by Figure number in the paper.</p> <p>The provided results are divided into two major sections:<br> (1) Variation in the variance tolerance limit (and corresponding numbers of retained components), and the weighting of the PCA in favour of EBSD or EDS information.<br> RCCs are validated by cross-correlation with the corresponding raw data point pattern and/or spectrum. <br> (2) Full outputs of PCA analysis having varied the weighting parameter. This contains IPF maps, quantified chemical maps, PC scores, and label maps. <br> </p>
Femtosecond electron diffraction data of black phosphorus
<p>Femtosecond electron diffraction data of black phosphorus measured at the Fritz Haber Institute in Berlin. The dataset contains an experiment at 100 K (measurement 1) and another experiment at room temperature (measurement 2).</p>
Scanning electron diffraction tilt series data of an aluminium-steel interface region
<p>This dataset contains scanning electron diffraction (SED) data used in the publication entitled "<strong>Microstructural and mechanical characterisation of a second generation hybrid metal extrusion & bonding aluminium-steel butt joint</strong>". The data denoted “SED_HYB_...” were recorded from an aluminium-steel interface region that includes aluminium and steel grains, an interfacial Al-Fe-Si layer, and dispersoids and some oxide particles located within the aluminium region. The nanoscale interfacial intermetallic phase layer is polycrystalline, and to increase the probability of recording data from intermetallic phase crystals oriented close to zone axes, the data were recorded in a tilt series covering 30 degrees, in steps of 1 degree. The file names give the goniometer x-tilt values in degrees, e.g. " SED_HYB_TX-150.hdf5" denotes an x-tilt of -15.0 degrees. SED data recorded from an Au cross-grating specimen, named "SED_AuX.hdf5", and from a MoO3 specimen, named "SED_MoO3.hdf5", are also included for calibration purposes.</p>
A simple, static and stage mounted direct electron detector based electron backscatter diffraction system
<h3><strong>Data set for </strong><i><strong>A simple, static and stage mounted direct electron detector based electron backscatter diffraction system</strong></i></h3><p>T.Zhang, T. B. Britton</p><p> </p><h3><strong>Contents</strong></h3><p><strong>- New in v2.0.0: CAD drawings of the stage</strong></p><p> </p><p>- Single Si(100) diffraction patterns at 4 camera lengths, and at 4 corners of the sample</p><p>- Horizontal and vertical line scan on Si(100) with 20 grid points</p><p>- 20x20 mapping scan on a polycrystalline Cu sample</p><p>Scan parameters for the line scans and map are included in logfiles within each subfolder.</p><p> </p><p>All pattern files are provided in .h5 format and .tif format. Analyses of the patterns were performed with AstroEBSD and MTEX.</p>
Femtosecond electron diffraction data of platinum
<p>Femtosecond electron diffraction data of platinum measured at the Fritz Haber Institute in Berlin. The dataset contains measurements at several absorbed energy densities, from 40 J/cm<sup>3</sup> (experimental_data_fluence_5) to 124 J/cm<sup>3</sup> ( experimental_data_fluence_1). The pump photon energy was 0.70 eV. The sample was a polycrystalline platinum film with a thickness of 15 nm. More information is available here: https://arxiv.org/abs/2012.10428</p>
Femtosecond electron diffraction data of iron and cobalt
<p>Femtosecond electron diffraction data of iron and cobalt measured at the Fritz Haber Institute in Berlin. The excitation wavelength was 2300 nm in all measurements. For iron, data were recorded with four different pump fluences. For cobalt, data were recorded with six different pump fluences. The samples were polycrystalline films with a thickness of 20 nm, sandwiched between two layers of silicon nitride with a thickness of 5 nm each. More information is available here: https://arxiv.org/abs/2110.00525</p>
serial electron diffraction data
<p>Raw serial electron diffraction data sets from 6 samples:</p> <ol> <li>Zeolite A</li> <li>Zeolite Y</li> <li>Ge-BEC</li> <li>Mordenite</li> <li>ECR-18</li> <li>CAU-36(Co)</li> </ol> <p>Each zip file contains at least 3 directories:</p> <ul> <li>calib: contains the calibration files for the experiment</li> <li>data: contains the raw diffraction data for all the identified crystals in hdf5 format</li> <li>images: contains the image data used to locate crystals in hdf5 format</li> </ul> <p>Experimental parameters (such as the crystal coordinates) are stored in the attributes on the data files. Worked out examples have been included for samples 1 and 2 in a jupyter notebook. The Python code to process the data can be found in the problematic-0.1.0.zip folder or on http://github.com/stefsmeets/problematic</p>
Continuous rotation electron diffraction data for Zeolite Mordenite
<p><strong>Raw continuous rotation electron diffraction data for mordenite:</strong><br> <br> - mordenite_cRED_1.zip<br> - mordenite_cRED_2.zip</p> <p>The zip file contains 3 directories<br> <br> - SMV: Diffraction data (stretch correction applied) in SMV format<br> - Tiff: Raw diffraction data in 16-bit unsigned integer TIFF format<br> - Defocused images in 16-bit unsigned integer TIFF format</p> <p>Experimental parameters are stored in the header files of the SMV images, and in the file cRED_log.txt<br> The SMV data can be processed using XDS.</p> <p><br> <strong>Raw serial electron diffraction data sets for mordenite:</strong></p> <p> - mordenite_SerialED.zip</p> <p>The zip file contains at least 3 directories:</p> <p> - calib: contains the calibration files for the experiment<br> - data: contains the raw diffraction data for all the identified crystals in hdf5 format<br> - images: contains the image data used to locate crystals in hdf5 format</p> <p>Experimental parameters (such as the crystal coordinates) are stored in the attributes on the data files. The Python code to process the data can be found in the problematic-0.1.0.zip folder or on http://github.com/stefsmeets/problematic<br> Prediction scores for all diffraction patterns are given in `learning.csv`<br> </p>
Electron Bessel beam diffraction patterns, line scan of Si/SiGe multilayer
<p>Electron diffraction patterns taken with a conical illumination (electron Bessel beams) and can be used to measure strain.</p> <p>The experimental diffraction patterns, in DM3 format, are included in the file experimental_data.7z while FEM strain simulations for the same sample are in the file reference_strain_experimental.csv</p> <p>Simulated diffraction patterns are included in the file simulated_patterns.7z while the strain in the model used is in the file reference_strain_simulated_patterns.csv</p> <p> </p> <p>The two python scripts attached allow the extraction of the strain, and rely on the code published at:</p> <p>https://bitbucket.org/lutosensis/tem-thesis/</p> <p> </p>
Nanobeam electron diffraction dataset from ion irradiated DIN 1.4970 austenitic stainless steel with G-phase precipitates 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 mode (NBED) from a sample of ion irradiated austenitic (FCC) stainless steel of the DIN 1.4970 specification, 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>The main features in this dataset are:</p> <ul> <li>a single crystal of the matrix is sampled, close to a 110 zone axis</li> <li>inside the matrix, irradiation induced G-phase precipitates of 10-20 nm in size can be found which contribute weakly to some of the diffraction patterns. From these patterns it is possible to derive the orientation relationship of the precipitates with respect to the matrix.</li> <li>irradiation also resulted in the formation of faulted frank loops, which also show up in some diffraction patterns.</li> </ul> <p><strong>Material and sample preparation</strong></p> <p>The sample was prepared from DIN 1.4970 steel (composition by weight: 15% Ni, 15% Cr, 1.8% Mn, 1.2% Mo, 0.5% Ti, 0.5% Si, 0.1% C, Fe Bal.) with the intended application of nuclear fuel cladding material. The material was originally in the shape of thin walled tubes and cold worked to 24% (measured by cross sectional area reduction). The material was aged for 2 hours at 800 °C. It was then irradiated to 40 dpa surface damage as calculated using the SRIM program and the Kinchin and Pease model with displacement energy of 40 eV, using 4.5 MeV Fe<sup>2+</sup> ions with a flux of arround 9x10<sup>11</sup> ions.s<sup>-1</sup>.cm<sup>-2</sup>. The irradiation was performed at 600 °C. Full details on the material, irradiation conditions, and context can be found in:</p> <p>Cautaerts, N., Delville, R., Stergar, E., Pakarinen, J., Verwerft, M., Yang, Y., Hofer, C., Schnitzer, R., Lamm, S., Felfer, P., & Schryvers, D. (2020). The role of Ti and TiC nanoprecipitates in radiation resistant austenitic steel : A nanoscale study. <em>Acta Materialia</em>, <em>197</em>, 184–197. https://doi.org/10.1016/j.actamat.2020.07.022</p> <p>A TEM sample was prepared by regular focused ion beam (FIB) lift-out techniques in a Ga-ion FIB. Additional details on the dataset can be found in the paper and supplementary materials of</p> <p>Cautaerts, N., Rauch, E. F., Jeong, J., Dehm, G., & Liebscher, C. H. (2021). Investigation of the orientation relationship between nano-sized G-phase precipitates and austenite with scanning nano-beam electron diffraction using a pixelated detector. <em>Scripta Materialia</em>, <em>201</em>, 113930. https://doi.org/10.1016/j.scriptamat.2021.113930</p> <p><strong>Microscopy parameters and data collection</strong></p> <p>NBED 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). The probe diameter was ~ 1 nm with a semi-convergence angle of ~0.5 mrad. Data was collected on a TemCam-XF416 pixelated CMOS detector (TVIPS). The camera length as indicated in the operating software was 80 cm, and collected images were 1024 by 1024 in size (hardware binning of 4). The dataset comprises 260x200 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 50 GB in size and can be shared upon request to the author. 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 256x256. A median filter was also applied to the data to remove pixel noise.</p> <p><strong>Data characteristics</strong></p> <p>Scan shape: 260 x 200 pixels</p> <p>Image shape: 256 x 256 pixels</p> <p>Pixel dtype: uint16</p> <p>Scan pixel size: about 1 nm, scan dimensions were never calibrated</p> <p>Image pixel size: 0.01261 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) and the pixel scale can be set through the axes manager. 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. The scan lines show "jitters" due to the unstable snake-scan pattern, hysteresis and instability.</p>
Femtosecond electron diffraction data of CsPbBr3 nanocrystals
<p>Femtosecond electron diffraction data of CsPbBr3 nanocrystals, acquired at the Fritz Haber Institute in Berlin. All measurements are performed at room temperature.</p>
Background optimization of powder electron diffraction to implement e-PDF technique and study the local structure of iron oxide nanocrystals
<p>The local structural characterization of iron oxide nanoparticles is explored using a total scattering analysis method known as Pair Distribution Function (PDF) (also known as Reduced Density Function) profiles derived from background corrected powder electron diffraction patterns. Due to the strong coulombic interaction between the electron beam and the sample, electron diffraction generally leads to multiple scattering, causing redistribution of intensities towards higher scattering angles and an increased background in the diffraction profile. In addition to this, the electron-specimen interaction gives rise to an undesirable inelastic scattering signal that contributes primarily to the background. The present work demonstrates the efficacy of a pre-treatment of the underlying complex background function, which is a combination of both incoherent multiple and inelastic scatterings that cannot be identical for different electron beam energies. Therefore, two different background subtraction approaches are proposed for the electron diffraction patterns acquired at 80 kV and 300 kV beam energies. From the least square refinement (small-box modelling), both approaches are found to be very promising, leading to a successful implementation of the e-PDF technique to study the local structure of the considered nanomaterial.</p>
Exposure fusion applied to enable wider-angle transmission Kikuchi diffraction with direct electron detectors
<p>Raw dataset for "<strong>Exposure fusion applied to enable wider-angle transmission Kikuchi diffraction with direct electron detectors</strong>" by T.Zhang, T.B.Britton.</p> <ul> <li>ArXiv: https://doi.org/10.48550/arXiv.2306.14167</li> </ul> <p>An excel file with metadata of the patterns is included. </p> <p> </p> <p>Details will be updated after acceptance.</p> <p>Processing with the proposed methodology in the paper above requires the AstroEBSD toolbox in MATLAB. This is available on GitHub at https://zenodo.org/record/8078806</p>
BIR-MicroED: selected area electron diffraction datasets from static microcrystals (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). 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>
BIR-MicroED: selected area electron diffraction datasets from static microcrystals (biotin, Cu(II)-serine, 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). 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>
BIR-MicroED: selected area electron diffraction datasets from static microcrystals (Co(II) meso-tetraphenyl porphyrine at high fluence, ~100 electrons per square Angstrom) 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>
BIR-MicroED: selected area electron diffraction datasets from static microcrystals (Co(II) meso-tetraphenyl 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>_<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>
BIR-MicroED: selected area electron diffraction datasets from tilting microcrystals, with multiple sweeps of data collected on each crystal (Co(II) meso-tetraphenyl porphyrin) at 200 keV
<div> <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> </div>
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