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6 results for “3DED”
3DED data of lanthanum hexaboride
<p>3DED data of commerically obtained lanthanum hexaboride were collected using continuous rotation in selected area mode. The table below summarizes data collection parameters.</p> <p> </p> <table> <tbody> <tr> <td><strong>General information</strong></td> <td> </td> </tr> <tr> <td>Project</td> <td> </td> </tr> <tr> <td>Project label</td> <td> </td> </tr> <tr> <td>Sample label</td> <td>LaB6</td> </tr> <tr> <td>Collection site</td> <td>University of Southampton, NCS</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Instrumental</strong></td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Rigaku XtaLAB Synergy-ED, electron diffractometer</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage [kV]</td> <td>200</td> </tr> <tr> <td>Wavelength [Å]</td> <td>0.02510</td> </tr> <tr> <td>Probe type</td> <td>Parallel beam</td> </tr> <tr> <td>Beam diameter</td> <td> </td> </tr> <tr> <td>Beam convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Rigaku HyPix-ED, hybrid pixel array detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>775 x 385</td> </tr> <tr> <td>Pixel size [µm]</td> <td>100</td> </tr> <tr> <td>Hardware binning</td> <td>1</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description</strong></td> <td> </td> </tr> <tr> <td>Name</td> <td>lanthanum hexaboride</td> </tr> <tr> <td>Chemical composition</td> <td>La B6</td> </tr> <tr> <td>Sample source</td> <td>commercial (Sigma Aldrich 241857)</td> </tr> <tr> <td>Grid</td> <td>Agar Scientific holey carbon coated copper grid 200 mesh</td> </tr> <tr> <td>Sample preparation</td> <td>solid sample gently ground and dispersed between microscopy glass slides, grid tapped on solid</td> </tr> <tr> <td>Sample holder</td> <td>JEOL standard TEM holder with high tilt retainer</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Experimental</strong></td> <td> </td> </tr> <tr> <td>Data type</td> <td>Electron diffraction data - 3DED</td> </tr> <tr> <td>Data collection method</td> <td>continuous rotation - cRED</td> </tr> <tr> <td>Collection temperature [K]</td> <td>rt</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Software</strong></td> <td> </td> </tr> <tr> <td>Software used for the data collection</td> <td>CrysAlisPro 1.171.43.111a</td> </tr> <tr> <td>Software used for processing</td> <td>CrysAlisPro 1.171.43.119a</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Files and data formats</strong></td> <td> </td> </tr> <tr> <td>Image folders</td> <td>./frames/xxx.rodhypix<br>./frames/PETS_exp_701/frames/xxx.tiff</td> </tr> <tr> <td>Image format</td> <td>.rodhypix (Rigaku proprietary image format)<br>.tiff (16bit, converted with CrysAlisPro 1.171.43.119a)</td> </tr> <tr> <td>Additional files</td> <td> <p>CrysAlisPro input files:<br>./expinfo/<br>./CrysalisExpSettings.ini<br>./exp_701.par<br>./exp_701.run<br>./new.ccd</p> <p>PETS2 (<a href="http://pets.fzu.cz/" target="_blank" rel="noopener">http://pets.fzu.cz/</a>) input file:<br>./frames/PETS_exp_701/exp_701.pts2</p> <p>Crystal Image:<br>./exp_701_microed_grain_snapshot.jpg</p> </td> </tr> </tbody> </table>
3DED data of L-histidine
<p>3DED data of commerically obtained L-histidine monohydrochloride monohydrate were collected using continuous rotation in selected area mode. The table below summarizes generic data collection parameters for the data collections.</p> <p> </p> <table> <tbody> <tr> <td>Project</td> <td> </td> </tr> <tr> <td>Project label</td> <td> </td> </tr> <tr> <td>Sample label</td> <td>NEDFSO_0023</td> </tr> <tr> <td>Collection site</td> <td>University of Southampton, NCS</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Instrumental</strong></td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Rigaku XtaLAB Synergy-ED, electron diffractometer</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage [kV]</td> <td>200</td> </tr> <tr> <td>Wavelength [Å]</td> <td>0.02510</td> </tr> <tr> <td>Probe type</td> <td>Parallel beam</td> </tr> <tr> <td>Beam diameter</td> <td> </td> </tr> <tr> <td>Beam convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Rigaku HyPix-ED, hybrid pixel array detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>775 x 385</td> </tr> <tr> <td>Pixel size [µm]</td> <td>100</td> </tr> <tr> <td>Hardware binning</td> <td>1</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description</strong></td> <td> </td> </tr> <tr> <td>Name</td> <td>L-histidine monohydrochloride monohydrate</td> </tr> <tr> <td>Chemical composition</td> <td>C<sub>6</sub>H<sub>9</sub>N<sub>3</sub>O<sub>2</sub> · HCl · H<sub>2</sub>O</td> </tr> <tr> <td>Sample source</td> <td>commercial</td> </tr> <tr> <td>Grid</td> <td>Agar Scientific holey carbon coated copper grid 200 mesh</td> </tr> <tr> <td>Sample preparation</td> <td>solid sample ground with mortar and pestle, dispersed between microscopy glass slides, grid tapped on solid, cryo transfer @ 175 K</td> </tr> <tr> <td>Sample holder</td> <td>GATAN Elsa cryo-transfer holder 698</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Experimental</strong></td> <td> </td> </tr> <tr> <td>Data type</td> <td>Electron diffraction data - 3DED</td> </tr> <tr> <td>Data collection method</td> <td>continuous rotation - cRED</td> </tr> <tr> <td>Collection temperature [K]</td> <td>175</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Software</strong></td> <td> </td> </tr> <tr> <td>Software used for the data collection</td> <td>CrysAlisPro 1.171.43.112a</td> </tr> <tr> <td>Software used for processing</td> <td>CrysAlisPro 1.171.43.119a</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Files and data formats</strong></td> <td> </td> </tr> <tr> <td>Image folders</td> <td>./frames/xxx.rodhypix<br>./frames/PETS_exp_705/frames/xxx.tiff</td> </tr> <tr> <td>Image format</td> <td>.rodhypix (Rigaku proprietary image format)<br>.tiff (16bit, converted with CrysAlisPro 1.171.43.119a)</td> </tr> <tr> <td>Additional files</td> <td> <p>CrysAlisPro input files:<br>./expinfo/<br>./CrysalisExpSettings.ini<br>./exp_705.par<br>./exp_705.run<br>./new.ccd</p> <p>PETS2 (<a href="http://pets.fzu.cz/" target="_blank" rel="noopener">http://pets.fzu.cz/</a>) input file:<br>./frames/PETS_exp_705/exp_705.pts2</p> <p>Crystal Image:<br>./exp_705_microed_grain_snapshot.jpg</p> </td> </tr> </tbody> </table> <p> </p>
3DED data of benzamide
<p>3DED data of commerically obtained benzamide (recrystallised from ethanol) were collected using continuous rotation in selected area mode. The table below summarizes generic data collection parameters for the datacollections.</p> <p> </p> <p>change from v1: addition of 3 more datasets (exp_590, exp_598, exp_604) all from the same grid as exp_599 from which was left unaltered from v1.</p> <table> <tbody> <tr> <td><strong>General information</strong></td> <td> </td> </tr> <tr> <td>Project</td> <td> </td> </tr> <tr> <td>Project label</td> <td> </td> </tr> <tr> <td>Sample label</td> <td>NEDFSO_0021</td> </tr> <tr> <td>Collection site</td> <td>University of Southampton, NCS</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Instrumental</strong></td> <td> </td> </tr> <tr> <td>Instrument</td> <td>Rigaku XtaLAB Synergy-ED, electron diffractometer</td> </tr> <tr> <td>Radiation source</td> <td>LaB6</td> </tr> <tr> <td>Accelerating voltage [kV]</td> <td>200</td> </tr> <tr> <td>Wavelength [Å]</td> <td>0.02510</td> </tr> <tr> <td>Probe type</td> <td>Parallel beam</td> </tr> <tr> <td>Beam diameter</td> <td> </td> </tr> <tr> <td>Beam convergence</td> <td>Parallel beam</td> </tr> <tr> <td>Detector</td> <td>Rigaku HyPix-ED, hybrid pixel array detector</td> </tr> <tr> <td>Number of pixels in the image</td> <td>775 x 385</td> </tr> <tr> <td>Pixel size [µm]</td> <td>100</td> </tr> <tr> <td>Hardware binning</td> <td>1</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Sample description</strong></td> <td> </td> </tr> <tr> <td>Name</td> <td>benzamide</td> </tr> <tr> <td>Chemical composition</td> <td>C7 H7 O N</td> </tr> <tr> <td>Sample source</td> <td>commercial (Sigma Aldrich 135828), recrystallised from ethanol</td> </tr> <tr> <td>Grid</td> <td>Agar Scientific lacey carbon coated copper grid 200 mesh</td> </tr> <tr> <td>Sample preparation</td> <td>solid sample gently ground in mortar and pestle, dispersed between microscopy glass slides, grid tapped on solid, cryo transfer @ 175 K</td> </tr> <tr> <td>Sample holder</td> <td>GATAN Elsa cryo-transfer holder 698</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Experimental</strong></td> <td> </td> </tr> <tr> <td>Data type</td> <td>Electron diffraction data - 3DED</td> </tr> <tr> <td>Data collection method</td> <td>continuous rotation - cRED</td> </tr> <tr> <td>Collection temperature [K]</td> <td>175</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Software</strong></td> <td> </td> </tr> <tr> <td>Software used for the data collection</td> <td>CrysAlisPro 1.171.43.109a</td> </tr> <tr> <td>Software used for processing</td> <td>CrysAlisPro 1.171.43.114a</td> </tr> <tr> <td> </td> <td> </td> </tr> <tr> <td><strong>Files and data formats</strong></td> <td> </td> </tr> <tr> <td>Image folders</td> <td>./frames/xxx.rodhypix<br>./frames/PETS_exp_599/frames/xxx.tiff</td> </tr> <tr> <td>Image format</td> <td>.rodhypix (Rigaku proprietary image format)<br>.tiff (16bit, converted with CrysAlisPro 1.171.43.114a)</td> </tr> <tr> <td>Additional files</td> <td> <p>CrysAlisPro input files:<br>./expinfo/<br>./CrysalisExpSettings.ini<br>./exp_599.par<br>./exp_599.run<br>./new.ccd</p> <p>PETS2 (<a href="http://pets.fzu.cz/" target="_blank" rel="noopener">http://pets.fzu.cz/</a>) input file:<br>./frames/PETS_exp_599/exp_599.pts2</p> <p>Crystal Image:<br>./exp_599_microed_grain_snapshot.jpg</p> </td> </tr> </tbody> </table>
3DED data of FIB milled lysozyme crystals
<p>This repository contains 3DED data from FIB milled lysozyme crystals. The directory contains the following data files:</p> <p><strong>FIB_Lysozyme_Data</strong></p> <ul> <li>argon <ul> <li>Ar_final.pdb</li> <li>Ar_merged.mtz</li> </ul> </li> <li>xenon <ul> <li>Xe_final.pdb</li> <li>Xe_merged.mtz</li> </ul> </li> <li>gallium <ul> <li>Ga_final.pdb</li> <li>Ga_merged.mtz</li> </ul> </li> </ul> <p>For each FIB source, the *_merged.mtz file contains the merged reflection intensities from multiple datasets milled using that source. The corresponding *_final.pdb file is the final refined model.</p>
3DED (cRED) data collected on CAU-45 using Instamatic (2017-2019)
<p>The data were collected at the Department of Materials and Environmental Chemistry, Stockholm Univerisity on a 200 kV JEOL 2100 LaB6 transmission electron microscope. The detector was a 512x512 pixels TimePix detector controlled through Instamatic (DOI: 10.5281/zenodo.5175957).</p> <p>The dataset labelled 190409_good was used for final structure determination of CAU-45, as described in Leubner et al., J. Am. Chem. Soc. 2020, 142, 15995−16000 (DOI: 10.1021/jacs.0c06978).</p> <p>The data were collected at ambient temperature.</p> <p>Data from two sessions were collected with automation from Instamatic.</p>
3DED data collected on CAU-42 (April/May 2017)
<p>Datasets were collected on a 200 kV JEOL 2100 LaB6 transmission electron microscope at the Department of Materials and Environmental Chemistry, Stockholm University. The detector was a 512x512 pixel TimePix detector controlled through SoPhy, the software supplied with the detector.</p> <p>The crystal was manually moved to stay within the aperture when needed based on the intensity of the diffraction pattern. Data collection and previous processing are further described in Leubner et al., Dalton Trans., 2020, 49, 3088–3092 (DOI: 10.1039/d0dt00235f). The data used for structure determination in the paper are found in the folder 170517/1/SMV.</p> <p>Diffraction patterns in TIFF format are the original. A conversion script was used to convert the TIFF images to SMV format.</p> <p>The sample was cooled to liquid nitrogen temperature (98 K) during data collection.</p>
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