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666 results for “Diffraction”
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>
Diffraction images of crystals of the first and second spectrin repeats (mutant C420A/C435A) of human plectin (PDB code 2ODV)
<p>Diffraction images of a native crystals of a fragment of human plectin that includes the first and second spectrin repeats (SR1-SR2) of the plakin domain. The two Cys in the wild type sequence were replaced by Ala.</p> <p>Images correspond to the dataset used to refine the pdb entry 2ODV (http://www.rcsb.org/pdb/explore/explore.do?structureId=2ODV).</p> <p> </p> <p>Data was collected at the BM14 beamline of the European Synchrotron Radiation Facility (ESRF, Grenoble, France) using radiation of 0.9785 Å wavelength and a Mar CCD detector. The dataset consists of 360 images (1 degree oscillation per image). Data extend to ~1.85 Å resolution.</p>
Diffraction images of crystals of the Calx-beta domain of integrin beta4 (PDB code 3FQ4)
<p>Diffraction images of native crystals of the Calx-β domain<br> of the human integrin β4 subunit. Images correspond to the dataset used to solve and refine the pdb entry 3FQ4 (http://www.rcsb.org/pdb/explore/explore.do?structureId=3FQ4).</p> <p>Data was collected using a rotating anode generator (MicrostarH, Bruker AXS) and a mar345dtb image plate detector (marXperts GmbH). The dataset consists of 360 images (1 degree oscillation per image). Data extend to 1.48 Å resolution.</p>
Contour method and neutron diffraction dataset to determine the weld fusion zone shape on residual stress in submerged arc welding
<p>This is a dataset which formed the basis for "The effect of the weld fusion zone shape on residual stress in submerged arc welding" by A. Ishigami, M. J. Roy, J. N. Walsh and P. J. Withers appearing in the Journal of Advanced Manufacturing Technology.</p> <p>Two X-grade steel specimens with different high speed, submerged arc welds with very slight differences in fusion zone shape were compared with a novel contour method application as well as with neutron diffraction. Neutron diffraction was carried out with the SALSA instrument at the Institut Laue-Langevin in Grenoble, France with the assistance of T. Pirling. Data files with 441 in the descriptor refer to 'conventional' parameters (see publication), while 241 refers to 'new'.</p> <p>Provided in this dataset are four *.dat files, which contains data is in the form of a point cloud with one point per line, whitespace delimited in microns. Data was captured with a Nanofocus CF-4 laser profilometer sensor with point spacing 30 µm apart. Data with z coordinates below or above 500 µm are considered outside of the surface detection limits.</p> <p>Also included is an Excel worksheet, which contains the calculated residual stresses as found with LAMP (https://www.ill.eu/instruments-support/computing-for-science/cs-software/all-software/lamp/). Raw data is available here:</p> <p>P. J. Withers, A. Ishigami, T. Pirling, M. Roy, J. Walsh (2014). The effect of weld bead shape on residual stress in novel low heat input welding of steel [Data set]. ILL. http://doi.ill.fr/10.5291/ILL-DATA.1-02-145</p> <p>The authors would like to thank JFE Steel Corporation for both direct and in-direct support of this research. The authors would also like to thank the Institut Max von Laue-Paul Langevin for the allocation of beamtime at SALSA and gratefully acknowledge the help of Thilo Pirling for his assistance in performing the neutron diffraction experiments. A. Ishigami would like to thank Kenji Oi for his support of this research. M. J. Roy would like to thank Ian Winstanley for his assistance in performing the contour cuts. M. J. Roy acknowledges financial support from the EPSRC (EP/L01680X/1) through the Materials for Demanding Environments Centre for Doctoral Training.</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>
Diffraction images of a crystal of the spectrin repeats 7, 8, and 9 (SR7-SR9) of the plakin domain of human plectin (PDB code 5J1I)
<p>Diffraction images of crystals of a fragment of the plakin domain of human plectin that includes the spectrin repeats 7 to 9 (SR7-SR9).</p> <p>Images correspond to the dataset used to solve and refine the pdb entry 5J1I (http://www.rcsb.org/pdb/explore/explore.do?structureId=5J1I).</p> <p>Data were collected on a single crystal at the beamline 14.2 of the European Synchrotron Radiation Facility (ESRF, Grenoble, France) using radiation of 0.9330 Å wavelength and an ADSC Q4 CCD detector. The dataset consists of 360 images (1 degree oscillation per image).</p> <p>Diffraction data is highly anisotropic. Based on analysis with the STARANISO server (http://staraniso.globalphasing.org/) data extend approximately to 5.0, 3.8, and 2.6 Å resolution along the three principal directions of anisotropy, which are 0.555 a*+ 0.832 c*, b*, and -0.361 a* + 0.932 c*, respectively.</p>
Diffraction images of crystals of the spectrin repeats 7 and 8 (SR7-SR8) of the plakin domain of human plectin (PDB code 5J1G): native and Hg-derivative datasets for phasing by SIRAS
<p>Diffraction images of crystals of a fragment of the plakin domain of human plectin that includes the spectrin repeats 7 to 8 (SR7-SR8).</p> <p>Images correspond to the dataset used to solve and refine the pdb entry <strong>5J1G</strong> (http://www.rcsb.org/pdb/explore/explore.do?structureId=5J1G).</p> <p> </p> <p>The structure was phase by single isomorphous replacement with anomalous scattering (SIRAS) using two datasets: one from a native crystal and another one from a crystal derivatized with the mercurial compound ethylmercurithiosalicylate (EMTS).</p> <p> </p> <p>The <strong>Native dataset</strong> was collected on a single crystal at the beamline XALOC of the ALBA Synchrotron (Barcelona, Spain) using radiation of 0.9792 Å wavelength and a PILATUS 6M detector. The dataset consists of 4 wedges of 450 images each (0.2º oscillation per image). Each wedge was collected at a different position of the same crystal. The crystals belong to the space group P2<sub>1</sub> with approximate cell dimensions <em>a</em>=45.7 Å, <em>b</em>=115.9 Å, <em>c</em>=64.8 Å, beta=97.6 º.</p> <p> </p> <p>The data from a <strong>mercurial derivative</strong> (EMTS) was collected in house using a rotating anode X-ray generator (wavelength 1.54179 Å) and a mar345 image plate detector. The dataset consists of 360 images (1º oscillation per image). The crystal was isomorphic to the native crystal.</p> <p> </p> <p>In addition to the diffraction images the following files are included:</p> <p>a) Files for indexing with the program XDS and the HKL files containing the integrated intensities.</p> <p>b) Files for scaling using the program xscale (directory XSCALE_5J1G_Native_EMTS).<br> c) The directory “phasing_shelx” contains hkl files of the intensities of the native and EMTS datasets in a format suitable for analysis with Shelx. This directory also contains the files of the phasing by SIRAS using Shelx C/D/E.</p>
Supplementary material - Optical Diffraction Tomography and Raman Confocal Microscopy for the Investigation of Vacuoles Associated with Cancer Senescent Engulfing Cells
<p>Supplementary material containing the data used in the manuscript "Optical Diffraction Tomography and Raman Confocal Microscopy for the Investigation of Vacuoles Associated with Cancer Senescent Engulfing Cells"</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>
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).
1.3A (Ge337) calibration data for new Ge115 monochromator installed on Echidna Neutron Powder Diffraction Instrument
<p>In early October 2024 the Echidna neutron powder instrument located at the OPAL reactor, ANSTO, installed a new monochromator with Ge115 cut. The present calibration data were collected shortly afterwards from a standard LaB6 sample in a 6mm diameter Vanadium can. The instrument was set to 140 degrees takeoff angle and monochromator angle 85.08 degrees, corresponding to the Ge337 reflection. Raw data in NeXus format are contained in <strong>ECH0034261.nx.hdf</strong>. These data were corrected for variable detector response using the information in <strong>eff_2024-10-06.cif</strong> and pixel vertical positions adjusted according to the table in <strong>vertical_offsets_2024-10-06.txt. </strong>Deviations from the ideal detector 1.25 degree angular spacing were applied using <strong>echidna-Apr2018.ang</strong>. The detector response was then recorrected based on overlapping measurements using the algorithm described in <a href="https://doi.org/10.1107/S1600576718014048">Avdeev and Hester (2018)</a> resulting in a 1D pattern suitable for fitting wavelength and peak shapes. This 1D pattern is provided here as a plain table (<strong>ECH0034261_LaB6.xyd</strong>) and as a pdCIF file (<strong>ECH0034261_LaB6.cif</strong>) including metadata on data collection and reduction. Details of data reduction are described in the above paper, and the data reduction routines used are included in the <a href="https://github.com/Gumtree/Echidna_scripts">Gumtree package as python code</a>.</p>
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