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226 results for “x-ray diffraction”
In-situ grazing-incidence X-ray diffraction data of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) via employing an isopropanol antisolvent. Raw Data
<p>The dataset contains 400 diffraction images from a 40 second in-situ grazing-incidence wide-angle X-ray scattering measurement of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) on a glass substrate. The crystallization is initiated via employing an isopropanol antisolvent during the spin-coating of the perovskite precursor solution. 40 µL of MAPbBr3 solution (4:1 DMF/DMSO solvent mixture) was applied on plasma-cleaned glass substrate in a chamber with kapton windows. The two-phase spin-coating regime included 10 seconds at 1000 rpm followed by 30 seconds at 2000 rpm, 200 µL of antisolvent was dispensed at t = 30 s.</p> <p> </p> <p> </p> <p>The data was acquired at the P08 Beamline at PETRA III (DESY Hamburg). Acquisition parameters:</p> <p> </p> <ul> <li> <p>X-ray wavelength: 0.6888 nm</p> </li> <li> <p>Sample detector distance: 809 mm</p> </li> <li> <p>Incidence angle: 0.5 deg.</p> </li> <li> <p>Detector model: XRD 1621 CN3 EHS</p> </li> <li> <p>Acquisition rate : 10 frames per second (10 Hz)</p> </li> <li> <p>Direct beam position (pixels): 545, 222</p> </li> </ul>
X-ray diffraction laboratory investigation for the Eptachori, Pentalofos and Tsotyli formations in West Macedonia
<p>The data comprises work under the Project Pilot Strategy GA No. 101022664, funded by the European Union. </p> <p>The work relates to rock samples collected in 2022 in West Macedonia, Greece. For full details, please refer to the following:</p> <ol> <li>Tsotyli formation: <a href="https://app.geosamples.org/sample/igsn/IE5770001">https://app.geosamples.org/sample/igsn/IE5770001</a> - <strong>WGS84 Lat : 40.3075, </strong><strong>WGS84 Long : 21.3354</strong></li> <li>Pentalofos formation: <a href="https://app.geosamples.org/sample/igsn/IE5770002">https://app.geosamples.org/sample/igsn/IE5770002</a> - <strong>WGS84 Lat : 40.1332,</strong> <strong>WGS84 Long : 21.1997</strong></li> <li>Eptachori formation: <a href="https://app.geosamples.org/sample/igsn/IE5770003">https://app.geosamples.org/sample/igsn/IE5770003</a> - <strong>WGS84 Lat : 40.1332, </strong><strong>WGS84 Long : 21.1997</strong></li> </ol> <p>The focus of the work is related to CO2 storage in appropriate saline aquifers in West Macedonia. Here are listed the raw results from the X-ray diffraction laboratory investigation.</p> <p>XRD equipment: Bruker D8 Advance</p> <p>Configuration parameters for XRD analysis: </p> <table> <tbody> <tr> <td>Type</td> <td>Locked couple</td> </tr> <tr> <td>Start</td> <td>3.000 degrees</td> </tr> <tr> <td>End</td> <td>93.009 degrees</td> </tr> <tr> <td>Step</td> <td>0.019 degrees</td> </tr> <tr> <td>Step time</td> <td>96s </td> </tr> <tr> <td>Temp</td> <td>25 centigrade (room) </td> </tr> <tr> <td>Time started</td> <td>0s</td> </tr> <tr> <td>2-Theta</td> <td>3.000 degrees</td> </tr> <tr> <td>Theta</td> <td>1.500 degrees</td> </tr> </tbody> </table>
Alpha-Galactosaminidase family GH114 protein from Fusarium solani: X-ray diffraction images
<p>This submission includes h5-files with diffraction images recorded using the Dectris EIGER X 16M detector at the DIAMOND beamline I04. The model of the crystal structure and associated information can be found in the Protein Data Bank entry 9EP6. The model has P 31 2 1 symmetry and three molecules per asymmetric unit. This is a case of crystal pathology – partial disorder. There is electron density for the fourth molecule which could be modelled with occupancy 1/2 and would overlap with a symmetry-related molecule.</p>
In situ Bragg Coherent X-ray Diffraction Imaging of Corrosion in a Co-Fe alloy microcrystal
<p>Here we present the final crystal reconstructions and analysis scripts for the paper titled "<em>In situ</em> Bragg coherent X-ray diffraction imaging of corrosion in a Co–Fe alloy microcrystal" published in CrystEngComm, 24(7), 1334-1343, on 18/01/2021. </p> <p><a href="https://doi.org/10.1107/S1600577520016264">https://doi.org/10.1107/S1600577520016264</a></p>
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>
SH3-like domain from Penicillium virgatum muramidase: X-ray diffraction images
<p>This submission includes a zip archive of diffraction images recorded with the ADSC QUANTUM 315 CCD detector at the DIAMOND beamline I04 on 2017-06-27. The model of the crystal structure and associated information can be found in the Protein Data Bank entry 8B2G. This is a case of crystal twinning. The data are used in CCP4 Tutorials.</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>
Raw data for article "In Situ Synchrotron X-Ray Diffraction Characterization of Corrosion Products of a Ti-Based Metallic Glass for Implant Applications" Gostin et al 2018
<p>This repository contains raw data for the article "In Situ Synchrotron X-Ray Diffraction Characterization of Corrosion Products of a Ti-Based Metallic Glass for Implant Applications" by Gostin et al. 2018 in Advanced Healthcare Materials, 7, 1800338 (https://doi.org/10.1002/adhm.201800338).</p> <p>Most data comes from one beamtime at the Diamond synchrotron in the UK in May 2016. It consists of X-ray diffraction images taken in situ in artificial corrosion pits on a Ti-based metallic glass.</p> <p>Please see the README file for more details.</p>
X-ray diffraction images of bovine trypsin crystals recorded at the FemtoMAX beamline of Max IV synchrotron facility
<p>The deposition concerns bovine trypsin diffraction images in two wedges. Each image is recorded on a still crystal and separated by 0.1 deg rotation. The x4.tar.gz archive contains summed intensities from individual snapshots at the same orientation, whereas x4_single.tar.gz archive contains single snapshots/orientation. </p>
X-ray diffraction images for PDB 6Z5G: The RSL - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, solved by S-SAD
<p>Anomalous diffraction data collected at 5.975 KeV at Swiss Light Source beam line X06DA using a Pilatus 2M-F detector. </p> <p> </p>
X-ray diffraction images used for refinement of cytochrome cL from Methylobacterium extorquens.
<p>X-ray diffraction images for cytchrome cL from <em>M. extorquens</em> extending to 1.6 Angstroms resolution that were collected at ID14-2 at the ESRF (Grenoble) in April 2001. This dataset was used for high resolution refinement of the structure. </p>
X-ray diffraction images for L-threonine dehydrogenase from Trypanosoma brucei with NAD and pyruvate bound.
<p>X-ray diffraction images which were collected at ESRF (Grenoble) using an ADSC 315r CCD detector on beamline ID29 on 11th November 2009. More details are given in the uploaded notes. </p>
X-ray diffraction images for an MDM2/Nutlin-3a complex
<p>This submission includes a zip archive of diffraction images recorded with the MARMOSAIC 225 mm CCD detector at the ESRF beam line ID23-2. Relevant meta data can be found in the headers of those diffraction images or in the Protein Data Bank entry 4HG7.</p>
IODP Expedition 391 X-ray diffraction (XRD)
X-ray diffraction (XRD) is used to identify minerals and their proportions in sediment or hard rock sample powders on a Bruker AXS D4 Endeavor X-ray diffractometer. Results are returned as diffractograms in a viewable format (either PDF or PNG).
IODP Expedition 397T X-ray diffraction (XRD)
X-ray diffraction (XRD) is used to identify minerals and their proportions in sediment or hard rock sample powders on a Bruker AXS D4 Endeavor X-ray diffractometer. Results are returned as diffractograms in a viewable format (either PDF or PNG).
X-ray diffraction dataset for experimental noise filtering
<p>X-ray diffraction data set for the training of noise filtering algorithms. The data set contains groups of low- and high-counting statistics pairs. The sampling times are mostly 1 (20) seconds for low (high) counting data. Three files in HDF5 format are provided, corresponding to a training, validation and test data set. Each data group contains sequences of 41 consecutive frames, corresponding to a scan along the reciprocal h-direction. Next to the raw data, sampling times and monitor values are included. The test data set additionally contains denoised low-count frames obtained from a pre-trained neural network.</p> <p>Additionally, files containing the trained model weights are included for two different architectures described in the main article (10.1038/s42256-024-00790-1).</p> <p>The data has been recorded on a La<sub>1.88</sub>Sr<sub>0.12</sub>CuO<sub>4</sub> single crystal at the beamline P21.1 at the PETRA III storage ring at DESY in Hamburg, Germany. The scattering intensities were recorded using Dectris Pilatus 100K CdTe detector. The diffractometer was operated with 100 keV photons and the sample was cooled to T ~ 30 K. The data contains different signals such as weak 2D charge density wave order, fundamental Bragg peaks, powder lines, spurions and dead pixels.</p>
IODP Expedition 378 X-ray diffraction (XRD)
X-ray diffraction (XRD) is used to identify minerals and their proportions in sediment or hard rock sample powders on a Bruker AXS D4 Endeavor X-ray diffractometer. Results are returned as diffractograms in a viewable format (either PDF or PNG).
Alpha-Galactosaminidase family GH191 protein from Environmental sample (99.2% identity to Myxococcus fulvus enzyme): X-ray diffraction images
<p><span>This submission includes a zip archive of diffraction images recorded with the Dectris EIGER X 9M detector at the DIAMOND beamline I04-1. The model of the crystal structure and associated information can be found in the Protein Data Bank entry 9EP5. This is a case of crystal pathology – partial disorder. The model has C 2 2 21 symmetry and two molecules per asymmetric unit with occupancies 1 and 1/3. The molecule with partial occupancy overlaps with a symmetry related molecule.</span></p>
IODP Expedition 367 X-ray diffraction (XRD)
X-ray diffraction (XRD) is used to identify minerals and their proportions in sediment or hard rock sample powders on a Bruker AXS D4 Endeavor X-ray diffractometer. Results are returned as diffractograms in a viewable format (either PDF or PNG).
IODP Expedition 379 X-ray diffraction (XRD)
X-ray diffraction (XRD) is used to identify minerals and their proportions in sediment or hard rock sample powders on a Bruker AXS D4 Endeavor X-ray diffractometer. Results are returned as diffractograms in a viewable format (either PDF or PNG).
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