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666 results for “Diffraction”
Raw and processed single-crystal diffraction data of the compound [DPPE]2Hg[PF6]2
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Diffraction images of TsaBgl
<p>X-ray diffraction images of TsaBgl</p>
Raw Diffraction Data for ferrocene cage - CCDC 2085773
<p>Raw diffraction data for CCDC 2085773</p>
Crystal Structure and Energetics of Arsenic(III)-oxide Intercalates with Rubidium Chloride and Their Comparison with Isostructural Intercalates of Potassium Halides. Raw diffraction data
<p>Raw diffraction data for:</p> <ul> <li>intercalate <strong>P<sub>RbCl</sub></strong> - pg152</li> <li>intercalate <strong>Y'<sub>RbCl</sub></strong> <ul> <li>measurement of a small crystal - pg149</li> <li>measurement of a large crystal - pg153</li> </ul> </li> </ul> <p>CSD 2073008-2073009.</p> <p>Crystal structures published in a Crystal Growth & Design article DOI: 10.1021/acs.cgd.1c01220</p>
Semisynthetic 6-Lattice Diffraction Data Re-binned
<p>This macromolecular crystallography diffraction data set was derived from the six-lattice "acegik" data set published at https://doi.org/10.5281/zenodo.10820. Please see that entry for details. The original entry was authored by Richard Gildea and Graeme Winter at Diamond Light Source and also licensed under the Creative Commons Attribution 4.0 International Licence.</p> <p>The number of images was reduced from 100 to 25 by merging them in groups of four using the program dials.merge_cbf. The resulting data set still represents at 10° rotation, but each individual image now covers 0.4°.</p> <p>Alongside the images, the files refined.expt and refined.refl are provided, which contain the refined experimental geometry and strong spot locations in a format compatible with, at least, DIALS 3.6.</p> <p>This data set has many overlapping spots and is provided for testing of overlap handling algorithms in diffraction data processing software.</p>
Raw diffraction images of human prostaglandin E receptor EP4
<p>Diffraction images of human prostaglandin E receptor EP4 in complex with Fab.</p> <p>For EP4 structure (PDB code: 5YWY), mainly small-wedge (5-10°/crystal) and some helical (~40-80°/crystal) datasets collected from loop-harvested microcrystals using MX225-HS CCD detector at a wavelength of 1 Å on BL32XU, SPring-8. The crystals belonged to space group C222<sub>1</sub> with unit cell parameters a=101.0, b=390.2, c=79.4 Å.</p> <p>For EP4+Br structure (PDB code: 5YHL), small-wedge (5-10°/crystal) datasets collected from loop-harvested microcrystals using EIGER X 9M detector at a wavelength of 0.9 Å on BL32XU, SPring-8. The crystals belonged to space group C222<sub>1</sub> with unit cell parameters a=102.0, b=392.2, c=81.1 Å.</p> <p>Finally, integrated datasets were merged at 3.2 and 4.2 Å resolutions, respectively, in the published result (Toyoda et al. Nature Chemical Biology, 2018) using KAMO; see processing note https://github.com/keitaroyam/yamtbx/wiki/Processing-EP4-data-(5YWY-&-5YHL)</p> <p>Note</p> <ul> <li>The master.h5 files were modified; see https://github.com/keitaroyam/yamtbx/blob/master/doc/eiger-en.md</li> <li>Most frames have lipid rings</li> </ul>
Binder H33 - diffraction images for PDB record 8BDU
<p>Binder H33 - diffraction data.</p>
Electron Diffraction (MicroED) Datasets for Ipragliflozin L-Proline (Glacios TEM with a CETA-D)
<p>Electron diffraction datasets collected from ipragliflozin L-proline, a chiral pharmaceutical cocrystal.</p> <p> </p> <p>Microscope: Thermo Fisher Scientific Glacios Transmission Electron Microscope (SDC1G at NanoImaging Services)</p> <p>Camera: Ceta-D camera (bin 2x2, rolling shutter, noise reduction mode)</p> <p>Collection Software: Leginon (Cheng, et. al. 2021)*</p> <p>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)</p> <p>Grid: Ted Pella 01840</p> <p>Sample: Ipragliflozin (C<sub>21</sub>H<sub>21</sub>FO<sub>5</sub>S, (2S,3R,4R,5S,6R)-2-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-6-(hydroxymethyl)oxane-3,4,5-triol) and L-proline (C<sub>5</sub>H<sub>9</sub>NO<sub>2, </sub>(2S)-pyrrolidine-2-carboxylic acid)</p> <p>Structure: CCDC 2174023</p> <p> </p> <p>* 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.</p> <p> </p> <p>A data processing tutorial is available for processing data collected with this setup using DIALS: </p> <p><a href="https://dials.github.io/documentation/tutorials/3DED/Biotin.html">https://dials.github.io/documentation/tutorials/3DED/Biotin.html</a></p> <p> </p> <p>Funding: NIH/NIGMS grant number 1R44GM140666</p>
Raw data for "Multimodal imaging of cubic Cu2O@Au nanocage formation via galvanic replacement using X-ray ptychography and nano diffraction"
<p><strong>Raw data for "Multimodal imaging of cubic Cu2O@Au nanocage formation via galvanic replacement using X-ray ptychography and nano diffraction"</strong></p> <p>The file "raw_data_ptychography_waxs.zip" contains one HDF5 archive for each scan. The archives are structured as follows:</p> <ul> <li>section experiment: <ul> <li>identifiers of the lightsource, beamline, beamtime, session number, and scan number</li> </ul> </li> <li>section measured: <ul> <li>N diffraction patterns of size 512x512 px used for ptychography</li> <li>N WAXS patterns of size 514x1030 px</li> <li>N scan positions in mm</li> <li>one detector mask of size 512x512 px used for ptychography</li> <li>one detector mask of size 514x1030 px used for WAXS</li> <li>slice separation in mm for multi slice reconstruction</li> </ul> </li> <li>section parameters: <ul> <li>distance between sample and forward detector (ptychography) in mm</li> <li>pixel size of forward detector (ptychography) in mm</li> <li>photon energy in keV</li> <li>cropping of diffraction patterns in px used for ptychographic reconstruction</li> </ul> </li> </ul> <p>The following lists show the scan numbers with their corresponding reaction times and slice separations for the in situ series recorded during growth of Cu<sub>2</sub>O nanocubes, as well as galvanic replacement with Au measured out of focus and in focus.</p> <p>Growth of Cu<sub>2</sub>O nanocubes:</p> <table> <tbody> <tr> <td><strong>scan number</strong></td> <td><strong>slice distance, mm</strong></td> <td><strong>reaction time, h</strong></td> </tr> <tr> <td>179</td> <td>1</td> <td>1.58</td> </tr> <tr> <td>185</td> <td>1</td> <td>3.59</td> </tr> <tr> <td>191</td> <td>1</td> <td>4.78</td> </tr> <tr> <td>192</td> <td>1</td> <td>5.21</td> </tr> <tr> <td>193</td> <td>1</td> <td>5.64</td> </tr> <tr> <td>194</td> <td>1</td> <td>6.08</td> </tr> <tr> <td>195</td> <td>1</td> <td>6.51</td> </tr> <tr> <td>196</td> <td>1</td> <td>6.94</td> </tr> <tr> <td>197</td> <td>1</td> <td>7.37</td> </tr> <tr> <td>198</td> <td>1</td> <td>7.81</td> </tr> <tr> <td>199</td> <td>1</td> <td>8.24</td> </tr> <tr> <td>200</td> <td>1</td> <td>8.67</td> </tr> <tr> <td>201</td> <td>1</td> <td>9.10</td> </tr> <tr> <td>202</td> <td>1</td> <td>9.53</td> </tr> <tr> <td>203</td> <td>1</td> <td>9.97</td> </tr> <tr> <td>204</td> <td>1</td> <td>10.41</td> </tr> <tr> <td>205</td> <td>1</td> <td>10.86</td> </tr> <tr> <td>207</td> <td>0.96</td> <td>11.53</td> </tr> <tr> <td>208</td> <td>0.94</td> <td>11.96</td> </tr> <tr> <td>209</td> <td>0.92</td> <td>12.41</td> </tr> <tr> <td>210</td> <td>0.9</td> <td>12.85</td> </tr> <tr> <td>211</td> <td>0.88</td> <td>13.29</td> </tr> <tr> <td>212</td> <td>0.86</td> <td>13.74</td> </tr> <tr> <td>213</td> <td>0.84</td> <td>14.19</td> </tr> <tr> <td>215</td> <td>0.8</td> <td>15.07</td> </tr> <tr> <td>216</td> <td>0.78</td> <td>15.50</td> </tr> <tr> <td>218</td> <td>0.74</td> <td>16.06</td> </tr> <tr> <td>219</td> <td>0.72</td> <td>16.50</td> </tr> <tr> <td>220</td> <td>0.7</td> <td>16.82</td> </tr> <tr> <td>221</td> <td>0.68</td> <td>17.08</td> </tr> <tr> <td>223</td> <td>0.64</td> <td>17.79</td> </tr> <tr> <td>225</td> <td>0.6</td> <td>18.53</td> </tr> </tbody> </table> <p>Galvanic replacement with Au measured out of focus:</p> <table> <tbody> <tr> <td><strong>scan number</strong></td> <td><strong>slice distance, mm</strong></td> <td><strong>reaction time, h</strong></td> </tr> <tr> <td>263</td> <td>1</td> <td>-0.53</td> </tr> <tr> <td>265</td> <td>1</td> <td>0.13</td> </tr> <tr> <td>266</td> <td>1</td> <td>0.38</td> </tr> <tr> <td>267</td> <td>1</td> <td>0.63</td> </tr> <tr> <td>268</td> <td>1</td> <td>0.89</td> </tr> <tr> <td>269</td> <td>1</td> <td>1.14</td> </tr> <tr> <td>270</td> <td>1</td> <td>1.40</td> </tr> <tr> <td>271</td> <td>1</td> <td>1.64</td> </tr> <tr> <td>272</td> <td>1</td> <td>1.90</td> </tr> <tr> <td>273</td> <td>1</td> <td>2.14</td> </tr> <tr> <td>274</td> <td>1</td> <td>2.39</td> </tr> <tr> <td>275</td> <td>1</td> <td>2.63</td> </tr> <tr> <td>276</td> <td>1</td> <td>2.87</td> </tr> <tr> <td>277</td> <td>1</td> <td>3.11</td> </tr> <tr> <td>278</td> <td>1</td> <td>3.35</td> </tr> <tr> <td>279</td> <td>1</td> <td>3.60</td> </tr> <tr> <td>280</td> <td>1</td> <td>3.84</td> </tr> <tr> <td>281</td> <td>1</td> <td>4.08</td> </tr> <tr> <td>282</td> <td>1</td> <td>4.32</td> </tr> <tr> <td>283</td> <td>1</td> <td>4.74</td> </tr> <tr> <td>284</td> <td>1</td> <td>5.15</td> </tr> <tr> <td>286</td> <td>1</td> <td>5.59</td> </tr> <tr> <td>287</td> <td>1</td> <td>6.01</td> </tr> <tr> <td>288</td> <td>1</td> <td>6.35</td> </tr> <tr> <td>289</td> <td>1</td> <td>6.74</td> </tr> <tr> <td>290</td> <td>1</td> <td>7.15</td> </tr> <tr> <td>291</td> <td>1</td> <td>7.55</td> </tr> <tr> <td>292</td> <td>1</td> <td>7.94</td> </tr> <tr> <td>293</td> <td>1</td> <td>8.35</td> </tr> <tr> <td>294</td> <td>1</td> <td>8.75</td> </tr> <tr> <td>295</td> <td>1</td> <td>9.16</td> </tr> <tr> <td>296</td> <td>1</td> <td>9.56</td> </tr> <tr> <td>297</td> <td>1</td> <td>9.96</td> </tr> </tbody> </table> <p>Galvanic replacement with Au measured in focus:</p> <table> <tbody> <tr> <td><strong>scan number</strong></td> <td><strong>slice distance, mm</strong></td> <td><strong>reaction time, h</strong></td> </tr> <tr> <td>117</td> <td>1</td> <td>0.33</td> </tr> <tr> <td>118</td> <td>1</td> <td>0.93</td> </tr> <tr> <td>119</td> <td>1</td> <td>1.51</td> </tr> <tr> <td>120</td> <td>1</td> <td>2.08</td> </tr> <tr> <td>121</td> <td>1</td> <td>2.66</td> </tr> <tr> <td>122</td> <td>1</td> <td>3.24</td> </tr> <tr> <td>123</td> <td>1</td> <td>3.87</td> </tr> <tr> <td>124</td> <td>1</td> <td>4.44</td> </tr> <tr> <td>125</td> <td>1</td> <td>5.02</td> </tr> <tr> <td>126</td> <td>1</td> <td>5.61</td> </tr> <tr> <td>127</td> <td>1</td> <td>6.19</td> </tr> <tr> <td>128</td> <td>1</td> <td>6.77</td> </tr> <tr> <td>129</td> <td>1</td> <td>7.35</td> </tr> <tr> <td>130</td> <td>1</td> <td>7.93</td> </tr> <tr> <td>131</td> <td>1</td> <td>8.50</td> </tr> </tbody> </table> <p>The files "waxs_detector_calibration_cu2o_growth.poni" and "waxs_detector_calibration_au_galvanic_replacement.poni" contain the PONI data to be used for azimuthal integration of WAXS patterns using the pyFAI library.</p> <p><strong>Ptychographic reconstructions</strong></p> <p>The file "ptychographic_reconstructions.zip" contains the ptychographic reconstructions shown in the article and supplementary information in tiff format.</p> <p>Stacks of images corresponding to time series:</p> <ul> <li>Figure 1b, 2: P06_Cu2O_growth_scans_00179-00225_entrance_window.tif</li> <li>Figure 1b, 2: P06_Cu2O_growth_scans_00179-00225_exit_window.tif</li> <li>Figure 1d, 4, 5: P06_Au_galvanic_replacement_de-focus_scans_00263-00297_exit_window.tif</li> <li>Figure 5c: P06_Au_galvanic_replacement_in-focus_scans_00117-00131_exit_window.tif</li> </ul> <p><strong>SEM and EDX</strong></p> <p>The file "SEM_EDX.zip" contains the SEM images and EDX maps shown in Figure 3 in png format. Subfolders indicate the reaction time.</p>
Raw diffraction images of apo-trypsin
<p>Trypsin is an enzyme in the first section of the small intestine that starts the degestion of protein molecules by cutting these long chains of amino acids into smaller pieces.</p> <p>We used datasets to investigate the protocol of detecting polymorphs using Hierarchical clustering (Acta D., submitted). All diffraction data were collected at BL32XU, SPring-8, using an automated data collection system <em>ZOO</em>. Data were acquired from four crystals for apo-form, 4-Methoxybenzamidine(benzamidine)-bound, and 5-Chlorotryptamine(tryptamine)-bound trypsin crystals, respectively. All datasets were collected using a continuous helical scan scheme for 360º oscillation with the following experimental parameters; Beam size: 10 µm × 15 µm, Wavelength: 1.0000 Å, Total dose/crystal: 10 MGy, Detector: EIGER X 9M (DECTRIS Co. Ltd.). All crystals belonged to the space group P212121 with the unit cell parameters roughly corresponding to a=54.5, b=58.4, 66.8 Å.</p>
Single-center, Double-arm, Prospective Clinical Trial to Compare Visual Performance of Non-diffractive Extended Vision and Neutral Aspheric Monofocal Intraocular Lenses
ClinicalTrials.gov study NCT04591054. IPD Sharing: NO. Countries: 1. Publications: 0.
Data from: The interaction of fatigue cracks with a residual stress field using thermoelastic stress analysis and synchrotron x-ray diffraction experiments
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Data from: Making soil particle size analysis by laser diffraction compatible with standard soil texture determination methods
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Data from: Electron backscatter diffraction (EBSD) analysis of maniraptoran eggshells with important implications for microstructural and taphonomic interpretations
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High-resolution X-ray diffraction dataset for the coiled-coil oligomerisation domain of human Arc
<p>0.95-Å resolution diffraction dataset for the crystal structure of human Arc coiled-coil dimerisation domain (PDB entry 6YTU). Data were collected on beamline P13 at EMBL/DESY (Hamburg, Germany). </p>
Raw diffraction data for [NiFeSe] hydrogenase G491A variant pressurized with Kr gas - dataset G491A-Kr
<p>Diffraction data measured at ESRF beamline ID30A-3 on September 27, 2017.</p>
Scanning electron diffraction - Cellulose
<p>Raw scanning electron diffraction data (SED) acquired from cellulose nanofibers (CNF) and nanocrystal (CNC). The CNFs are of Tunicate origin and the CNC is extracted from bacteria.</p> <p>The data can be read and processed using e.g. the open-source Python library pyXem 0.10.0 available from:<br> https://zenodo.org/record/3667613#.XzKk--exWUl</p>
Raw diffraction images of Spirochaeta YeeE of SeMet derivative
<p>Crystal structure of thiosulfate transporter YeeE from Spirochaeta thermophila (PDB code 6LEO).</p> <p>The complete datasets were obtained by merging multiple small-wedge datasets using EIGER X 9M detector at a wavelength of 0.979 Å with a multi-crystal data collection scheme using 15×10 μm beam on BL32XU, SPring-8. For the SeMet dataset, diffraction images of 7° rotation range with a pitch of 0.1° oscillation range were collected from each of the 326 crystals. All the diffraction images were collected automatically by the Zoo system and then processed using KAMO with XDS.</p>
Diffraction data for CCDC 2004930
<p>Diffraction data for CCDC 2004930</p>
Raw diffraction data for CCDC 2222236-2222238 and 2242035-2242036
<p>Raw diffraction data for CCDC:</p> <ul> <li>2242036: <strong>3b</strong></li> <li>2242035: <strong>2b</strong></li> <li>2222236: <strong>2a</strong></li> <li>2222237: <strong>1b</strong></li> <li>2222238: <strong>1a</strong></li> </ul>
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