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X-ray diffraction data for urotropine under high pressure - part 1 - data from ID15B beamline - He pressure transmitting medium and calibration

X-ray diffraction data for urotropine collected at the ID15B beamline of the European Synchrotron Radiation Facility under high pressure. Calibration data and data collected at He used as pressure transmitting medium.

High-pressure X-ray diffraction data for arsenolite at neon used as pressure transmitting medium

High-pressure x-ray diffraction data for arsenolite at the European Synchrotron Radiation Facility using neon as pressure transmitting medium.

X-ray diffraction data for urotropine under high pressure - part 2 - data from ID15B beamline - Ne pressure transmitting medium

X-ray diffraction data for urotropine collected at the ID15B beamline of the European Synchrotron Radiation Facility under high pressure using Ne used as pressure transmitting medium.

High-pressure X-ray diffraction data for arsenolite helium inclusion compound

High-pressure x-ray diffraction data for arsenolite inclusion compound with helium collected at the European Synchrotron Radiation Facility.

Precession electron diffraction dataset from nanocrystaline Cu-Ag (FCC) alloy collected on pixelated TVIPS detector

Summary 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. Material and sample preparation The sample was prepared from a nanocrystalline Cu-Ag thin film. The details are described in the following publication: Oellers, Tobias, et al. "Thin-Film Microtensile-Test Structures for High-Throughput Characterization of Mechanical Properties." ACS combinatorial science 22.3 (2020): 142-149. 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. Microscopy parameters and data collection 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 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). Data processing 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. Data characteristics Scan shape: 150 x 150 pixels Image shape: 512 x 512 pixels Pixel dtype: uint16 Scan pixel size: about 1 nm, scan dimensions were never calibrated Image pixel size: 0.01155 Angstrom-1 / pixel 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. Additional notes 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.

opencc-by-4.0Nov 2018View details →

Raw diffraction images of the type VI amidase immunity (Tai4) and the effector-immunity complex (Tae4-Tai4) from Agrobacterium tumefaciens

X-ray diffraction images of the type VI amidase immunity (Tai4) and the effector-immunity complex (Tae4-Tai4) crystals from Agrobacterium tumefaciens. This upload includes: <ul> <li>AtTai4 (PDB code: 6IJE) collected on BL41XU, SPring-8 using PILATUS3 6M detector. <ul> <li>0.5°/frame × 360 frames (helical data collection)</li> <li>P212121, a=53.92, b=57.76, c=71.47 Å</li> </ul> </li> <li>AtTae4-AtTai4 complex (PDB code: 6IJF) collected on BL32XU, SPring-8 using MX225-HS CCD detector. <ul> <li>0.5°/frame × 360 frames (helical data collection)</li> <li>P61, a=b=72.03, c=194.35 Å</li> </ul> </li> </ul>

opencc-by-4.0Nov 2022View details →

Electron Diffraction (MicroED) Datasets for Finafloxacin (+)-Menthyl Carbamate (Glacios TEM with a CETA-D)

Electron diffraction datasets collected from finafloxacin (+)-menthyl carbamate    Microscope: Thermo Fisher Scientific Glacios Transmission Electron Microscope (SDC1G at NanoImaging Services) Camera: Ceta-D camera (bin 2x2, rolling shutter, noise reduction mode) Collection Software: Leginon (Cheng, et. al. 2021)* 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) Grid: Ted Pella 01840 Sample: finafloxacin (+)-menthyl carbamate (C31H37FN4O6, 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 Structure: CCDC 2168647   * 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.   A data processing tutorial is available for processing data collected with this setup using DIALS:  <a href="https://dials.github.io/documentation/tutorials/3DED/Biotin.html">https://dials.github.io/documentation/tutorials/3DED/Biotin.html</a>   Funding: NIH/NIGMS grant number 1R44GM140666

opencc-by-4.0Nov 2022View details →

Electron Diffraction (MicroED) Datasets for Finafloxacin (1R)-(+)- α-Methylbenzyl Isocyanate Type A, Unsolved (Glacios TEM with a CETA-D)

Electron diffraction datasets collected from crystals likely composed of finafloxacin and (1R)-(+)- α-methylbenzyl isocyanate   Microscope: Thermo Fisher Scientific Glacios Transmission Electron Microscope (SDC1G at NanoImaging Services) Camera: Ceta-D camera (bin 2x2, rolling shutter, noise reduction mode) Collection Software: Leginon (Cheng, et. al. 2021)* 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) Grid: Ted Pella 01840 Sample: finafloxacin (C20H19FN4O4, 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 Structure: Unsolved as of 11/9/2022   * 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.   A data processing tutorial is available for processing data collected with this setup using DIALS:  <a href="https://dials.github.io/documentation/tutorials/3DED/Biotin.html">https://dials.github.io/documentation/tutorials/3DED/Biotin.html</a>   Funding: NIH/NIGMS grant number 1R44GM140666

opencc-by-4.0Nov 2022View details →

Electron backscatter diffraction data and backscatter electron images from four conditions from a cold-rolled and annealed Al-Mn alloy

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. 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). 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. See the GitHub repository https://github.com/hakonanes/p-texture-al-mn-alloys for Jupyter notebooks and MTEX (MATLAB) and ImageJ scripts used to process and analyze the data. See the README.txt file for a description of the file contents.

opencc-by-4.0Dec 2022View details →

Electron backscatter diffraction patterns from a single crystal silicon wafer

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\(^{\circ}\). The nominal step size is 40 μm, so the scan covers a nominal area of (2 x 2) μm2. 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: <pre><code class="language-python">import kikuchipy as kp s = kp.load("Pattern.dat")</code></pre>

opencc-by-4.0Dec 2022View details →

FhuF, a ferric-siderophore reductase from E. coli K-12 - X-ray diffraction raw data set

This diffraction data set was collected at 100 K to 1.9 Å resolution at ALBA Synchrotron Beamline XALOC on December 5, 2021.

opencc-by-4.0Feb 2023View details →

3D Electron Diffraction Dataset of CAU-55-Cl

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.   Data were collected on a JEOL JEM-2100 LaB6 microscope with an Amsterdam Scientific Instruments TimePix detector, using the software <a href="https://zenodo.org/record/3470096">Instamatic</a>.

opencc-by-4.0Apr 2023View details →

Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - sample untreated_162nm

RHEED intensity image dataset of sample untreated_162nm in work "Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."

opencc-by-4.0Apr 2023View details →

Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - sample treated_81nm

RHEED intensity image dataset of sample t0.08 in work "Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."

opencc-by-4.0Apr 2023View details →

Raw diffraction data for CCDC 2258778-2258786

Raw diffraction data for anhydrous arsenic(III) oxide intercalates with KBr, KI, NH4Br, NH4I, RbBr, RbI, CsCl, CsBr and CsI.

Data in support of: `Two-Dimensional Strain Mapping with Scanning Precession Electron Diffraction: An Investigation into Data Analysis Routines'

This upload contains data in support of a manuscript currently under review. More details to follow.

Medium-definition electron diffraction patterns and their indexation results of a polycrystal Ni sample

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.

Predicting Pulsed-Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction - gaussian_fit_parameters - sample untreated_162nm

RHEED raw dataset and Gaussia fitting parameter dataset for sample "untreated_162nm" in work "Predicting Pulsed Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."

Compressed Datasets for Work "Predicting Pulsed-Laser Deposition SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction"

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 SrTiO3 Homoepitaxy Growth Dynamics using High-Speed Reflection High-Energy Electron Diffraction."

Dataset for: Characterization of local deformation around hydrides in Zircaloy-4 using conventional and high angular resolution electron backscatter diffraction

Datasets for: Characterization of local deformation around hydrides in Zircaloy-4 using conventional and high angular resolution electron backscatter diffraction Ruth M. Birch1,2*, James O. Douglas1, T. Ben Britton1,2 <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> --- h5 files for all 4 examples used in the paper: <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  </li> </ul> High quality figures for all figures in the paper (600 dpi)