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226 results for “x-ray diffraction”
X-ray diffraction data of xylose isomerase from Streptomyces avermitilis
<p>X-ray diffraction data of xylose isomerase from Streptomyces avermitilis</p> <p>Data type: X-ray diffraction images<br>Data format: img</p> <p>Data collection<br>Synchrotron: Pohang Light Source II<br>Beamline: 7A</p> <p> </p> <p> </p>
X-ray diffraction images of juvenile hormone diol kinase from the silk worm Bombyx mori
<p>X-ray diffraction images of juvenile hormone diol kinase (JHDK) from the silk worm Bombyx mori</p>
Primary X-ray diffraction data for the study "Femtosecond X-ray snapshots reveal correlated displacements of specific distal atoms in a protein crystal"
<p>The data set contains the primary X-ray diffraction data collected at the FemtoMAX beamline from bovine trypsin crystals at room temperature (motor gony). Every image represents a 150 fs X-ray pulse diffracting on the crystal. The photon energy was 11.15 keV (ΔE/E = 0.01), approximately 1 × 10<sup>7</sup> photon/pulse. The images are stored in compressed numpy file format and the float pixels values describe energy in keV as generated by the time-over-threshold technique. The odd numbered images were recorded without a preceding THz pulse and the even numbered images were recorded after a single cycle THz pulse (2.1 THz peak, FWHM 2 THz) with approximately 50 ps delay.</p> <p>The data set also contain the laser delay associated with a rotation position (motor laserdelay, in seconds). Only one laser delay was recorded per step.</p>
X-Ray diffraction images from a crystal of WT, full-length D. radiodurans DdrC - Crystal form xMJ7124
<p>Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans. Crystal Form xMJ7124</p>
X-Ray diffraction images from a crystal of D. radiodurans DdrC - PDB 7UDI - Crystal form xMJ7121
<p>Dimer of the DNA-Damage Response Protein C (DdrC) from Deinococcus radiodurans. </p><p>Crystal Form xMJ7121. </p><p>FL protein with L131M/184M mutation and derivatized with SeMet. </p><p>Collected at 0.9795 Å</p><p>Rotation about omega. 1120 frames at a width of 0.25°/frame.</p><p>Data collected in two 140° wedges.</p><p>Raw data integrated and scaled in autoPROC. </p>
In vivo x-ray diffraction and simultaneous EMG reveal the timecourse of myofilament lattice dilation and filament stretch
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Raw data and Figures for the article "Strain Wave Pathway to Semiconductor-to-Metal Transition Revealed by Time Resolved X-ray Powder Diffraction"
<p>- Raw data from Jungfrau Integrating pixel detector (together with azimuthally averaged curves)</p> <p>- Script to create time resolved data from raw data</p> <p>- Scripts to generates main figures of the article.</p>
Data from: The interaction of fatigue cracks with a residual stress field using thermoelastic stress analysis and synchrotron x-ray diffraction experiments
This article presents an experimental study on the fatigue behaviour of cracks emanating from cold-expanded holes utilising thermoelastic stress analysis (TSA) and synchrotron x-ray diffraction (SXRD) techniques with the aim of resolving the long-standing ambiguity in the literature regarding potential relaxation, or modification, of beneficial compressive residual stresses as a result of fatigue crack propagation. The crack growth rates are found to be substantially lower as the crack tip moved through the residual stress zone induced by cold expansion. The TSA results demonstrated that the crack tip plastic zones were reduced in size by the presence of the residual compressive stresses induced by cold expansion. The crack tip plastic zones were found to be insignificant in size in comparison to the residual stress zone resulting from cold expansion, which implied that they were unlikely to have had a notable impact on the surrounding residual stresses induced by cold expansion. The residual stress distributions measured along the direction of crack growth, using SXRD, showed no signs of any significant stress relaxation or redistribution, which validates the conclusions drawn from the TSA data. Fractographic analysis qualitatively confirmed the influence on crack initiation of the residual stresses induced by the cold expansion. It was found that the application of single compressive overload caused a relaxation, or reduction in the residual stresses, which has wider implications for improving the fatigue life.
The 1.1 Å Structure of the Periplasmic Phosphate-Binding Protein from Stenotrophomonas maltophilia - a crystallisation contaminant identified by molecular replacement using the entire protein database (X-ray diffraction images).
<p>During efforts to crystallise the enzyme 2,4-dihydroxyacetophenone dioxygenase (DAD) from <em>Alcaligenes</em> sp. 4HAP, a small number of strongly diffracting protein crystals were obtained after two years of crystal growth in one condition. The crystals diffracted synchrotron radiation to almost 1.0 Å resolution and were, until recently, assumed to be formed by the DAD protein. However, when another crystal form of this enzyme was eventually solved at lower resolution, molecular replacement using this structure as the search model did not give a convincing solution with the original atomic resolution dataset. Hence we considered that these crystals might be due to a protein impurity, although molecular replacement using the structures of common crystallisation contaminants as search models again failed. A script to perform molecular replacement using MOLREP (Vagin, A. & Teplyakov, A. (2010). Acta Crystallogr. D 66, 22-25.) in which the first chain of every structure in the PDB was used as a search model was run on a multi-core cluster. This identified a number of prokaryotic phosphate binding proteins as scoring highly in the MOLREP peak lists. Calculation of an electron density map at 1.1 Å resolution allowed most of the amino acids to be identified visually and built into the model. A BLAST search then indicated that the molecule was most probably a phosphate binding protein from <em>Stenotrophomonas maltophilia</em> (UniProt ID: B4SL31; gene ID: Smal_2208) and fitting of the corresponding sequence to the atomic resolution map fully corroborated this. Proteins in this family have been linked with the virulence of antibiotic resistant strains of pathogenic bacteria and with biofilm formation. The structure has been refined to an R-factor of 10.15 % and an R-free of 12.46 % at 1.1 Å resolution. The molecule adopts the type-II periplasmic binding protein fold with a number of extensively elaborated loop regions. A fully-dehydrated phosphate anion is bound tightly between the two domains of the protein and interacts with conserved residues and a number of helix dipoles. </p>
Raw data for "Accuracy in cement hydration investigations: combined X-ray microtomography and powder diffraction analyses" paper
<p>Raw data for "Accuracy in cement hydration investigations: combined X-ray microtomography and powder diffraction analyses" paper, including:</p> <p>- TG-DTA</p> <p>- X-ray diffraction data.</p> <p>- micro-CT data.</p>
X-ray diffraction (XRD) measurement of bulk and clay mineral composition at India National Gas Hydrate Program 01 (NGHP-01) Sites on the Indian continental margin (Krishna-Godavari Basin, Kerala-Konkan Basin, Mahanadi Basin, Andaman Sea)
<p>This dataset contains bulk and clay mineral relative abundances measured by X-ray diffraction (XRD) measured at 12 offshore sites drilled and cored during the Indian National Gas Hydrate Program 01 (NGHP-01) in 2006 by the JOIDES Resolution. Sediment samples from from the Kerala-Konkan Basin, Arabian Sea (Hole 01A), the Krishna-Godavari Basin, Bay of Bengal (Holes 03B, 05C, 07BD, 10BD, 14A, 15A, 16A, 20AB), the Andaman Sea (Hole 17A), and the Mahanadi Basin, Bay of Bengal (Holes 18A, 19A) were measured for bulk and clay XRD at the University of Missouri using a Scintag Pad V X-ray diffractometer.</p> <p>These sites are between 895 and 2663 m of water depth and were from drilled to depths between 172 and 675 m below seafloor. These data were published in:</p> <p><strong>Phillips, S.C., Johnson, J.E., Underwood, M.B., Guo, J., Giosan, L., and Rose, K., 2014. Long-timescale variation in bulk and clay mineral composition of Indian continental margin sediments in the Bay of Bengal, Andaman Sea, and Arabian Sea. <em>Marine and Petroleum Geology</em> 58A, 117-138, https://doi.org/10.1016/j.marpetgeo.2014.06.018 <a href="https://doi.org/10.1016/j.marpetgeo.2014.06.018">Link</a></strong></p> <p>Samples were collected at a resolution of approximately 1 per core. Four-component relative abundances (total clay, quartz, feldspar, calcite) of bulk sediment powders were calculated using a singular value decomposition (Fisher and Underwood, 1995). Clay fractions were prepared using the filter peel method and 0.45-mm membranes, and saturated with ethylene glycol (Moore and Reynolds, 1997). Clay mineral relative abundances (illite, smectite, kaolinite, chlorite) were calculated using the method of Biscaye (1965) for comparison with previously measured studies from the Indian Ocean. See Phillips et al. (2014) for additional information.</p> <p>References:</p> <p>Biscaye, P.E., 1965. Mineralogy and sedimentation of recent deep-sea clay in the Atlantic Ocean and adjacent seas and oceans. <em>Geological Society of America Bulletin</em>. 76, 803-832. https://doi.org/10.1130/0016-7606(1965)76[803:MASORD]2.0.CO;2</p> <p>Fisher, A.T., Underwood, M.B., 1995. Calibration of an X-ray diffraction method to determine relative mineral abundances in bulk powders using matrix singular value decomposition: a test from the Barbados accretionary complex. In: Shipley, T.H., Ogawa, Y., Blum, P. (Eds.), <em>Proceedings of the Ocean Drilling Program, Initial Reports</em>, vol. 156, pp. 29-37. doi:10.2973/odp.proc.ir.156.103.1995</p> <p>Moore, D.M., Reynolds, R.C., 1997. X-ray <em>Diffraction and the Identification and Analysis of Clay Minerals</em>, second ed. Oxford University Press, New York.</p> <p>Phillips, S.C., Johnson, J.E., Underwood, M.B., Guo, J., Giosan, L., and Rose, K., 2014. Long-timescale variation in bulk and clay mineral composition of Indian continental margin sediments in the Bay of Bengal, Andaman Sea, and Arabian Sea. <em>Marine and Petroleum Geology</em> 58A, 117-138, https://doi.org/10.1016/j.marpetgeo.2014.06.018</p>
X-ray diffraction from PCMO on LSAT (011) June 2024 Mo Tube at SLS/MS
<p>X-ray diffraction from PCMO on LSAT (011) June 2024 Mo Tube at SLS/MS</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>
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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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>
Data and materials for "Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment"
<p>XFEL diffraction data and simulation codes associated with publication "Crystallization kinetics of atomic crystals revealed by a single-shot and single-particle X-ray diffraction experiment" (https://doi.org/10.1073/pnas.2111747118). <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig1A.txt?versionId=22020722-9489-427b-b2a3-8a5577542679">Fig1A.txt</a> is the 2D array data of the accumulated diffraction image. <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig2A.txt?versionId=f53f0a51-20f0-4aaa-b2f3-7ac284e5a39a">Fig2A.txt</a>, <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig2B.txt?versionId=a7a31743-446f-4b60-84fc-8d06383bd852">Fig2B.txt</a>, <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Fig2C.txt?versionId=d79d2068-2530-4ee6-95fc-b38b4ee8bda5">Fig2C.txt</a> are the 2D arrays of the single-shot diffraction images. The unit is electronvolt per pixel. <a href="https://zenodo.org/api/files/6b7e2270-da94-43ea-8cb7-24db901d6d47/Python%20script.ipynb">Python script.ipynb</a> includes the simulation codes for the single-shot streak patterns and the integrated powder diffraction pattern. </p>
X-ray diffraction images for coenzyme F420H2 oxidase (FprA) from M. thermolithotrophicus.
<p>Anomalous data collected at ESRF (Grenoble, France) using beamline ID23-1. The crystal (Crystal form 2) was in the presence of the crystallophore Tb-Xo4.</p> <p> </p> <p>Related Publication: Engilberge et al. (2019)</p> <p> </p>
X-ray Diffraction Data Investigating Charge Density Waves in CsV3Sb5
<h1>## Description of DFXM data on CsV3Sb5 collected at 6 ID-C of the Advanced Photon Source of Argonne National Lab ##</h1> <h2>Overview</h2> <p>This repository contains darkfield X-ray microscopy images of CsV3Sb5 collected at the (1/2 1/2 1/4), (1/2 1/2 1/2), (1 1 2), and (2 2 0) Bragg peaks. The experiment was conducted at Sector 6-ID-C of the Advanced Photon Source (APS) at Argonne National Laboratory in March of 2023. <br>Corresponding APS beamline scientist: Zahir Islam</p> <h1># Data Structure</h1> <p>The data is labeled with a prefix to establish the author, experiment type, and experiment date:</p> <p> JPlumb-DFXM-Mar2023</p> <p>Within each experimental folder, there are several subdirectories that contain relevant experimental files:</p> <p> "data" Folder:<br> Contains subfolders labeled by scan numbers in the format S### (e.g., S001, S002).<br> Raw data is collected and stored as 16-bit grayscale TIFF images.<br> Each scan represents either a single rocking curve imaging (RCI) scan, with a stack of images that were taken at various theta positions for a given sample location and two theta Bragg angle, or a time series scan that contains a stack of images taken over time, at a static theta position, and with variying sample temperature. <br> See Scan Group description below to learn which type of scan each folder represents.</p> <p> "logs" Folder:<br> Contains experimental logbooks.</p> <p> "structureFiles" Folder:<br> Contains .cif files with lattice parameters of different material structures (alpha and beta phases of NaMnO2).</p> <p> "referenceImages" Folder:<br> Includes optical microscope images of the sample in the as-measured state for reference.</p> <p> "motors" Folder:<br> Contains CSV files corresponding to each scan folder. These files include motor positions (theta, two-theta, XYZ) and other relevant experimental parameters.</p> <p> "scripts" Folder:<br> Contains basic analysis scripts for different scan groupings. Scans are grouped based on similarities and the intent behind their measurements.</p> <p> "cryostatData" Folder:<br> Contains data from the cryostat, recording sample temperature at various times throughout the experiment.</p> <p> "results" Folder:<br> Contains pre-processed maximum intensity projection images for each scan, providing a quick overview of the collected data.</p> <p>December 2023 Experiment<br>Scan Groups</p> <p>Scan Group A:<br> hkl - (0.5, 0.5, 0.25)<br> # of Scans - 1<br> Scan #s - 1<br> Temperature - 3.2 K<br> Exposure Time - 10 seconds<br> X-ray Energy - 20 keV<br> Total Magnification - 26x<br> Effective Pixel Size - 2.115 um/pixel<br> Description - Single scan used for quick code testing.</p> <p>Scan Group B:<br> hkl - (0.5, 0.5, 0.25)<br> # of Scans - 121<br> Scan #s - 1 to 121<br> Temperature - 3.2 K<br> Exposure Time - 10 seconds<br> X-ray Energy - 20 keV<br> Total Magnification - 26x<br> Effective Pixel Size - 2.115 um/pixel<br> Description - 0.25L peak RCI scans collected over an array of sample locations </p> <p>Scan Group C:<br> hkl - (0.5, 0.5, 0.5)<br> # of Scans - 121<br> Scan #s - 122 to 242<br> Temperature - 3.2 K<br> Exposure Time - 10 seconds<br> X-ray Energy - 20 keV<br> Total Magnification - 26x<br> Effective Pixel Size - 2.115 um/pixel<br> Description - 0.5L peak RCI scans collected over an array of sample locations</p> <p>Scan Group D:<br> hkl - (1, 1, 2)<br> # of Scans - 1<br> Scan #s - 243<br> Temperature - 3.2 K<br> Exposure Time - 25 seconds<br> X-ray Energy - 20 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - High-resolution, fine RCI of structural peak</p> <p>Scan Group E:<br> hkl - (2, 2, 0)<br> # of Scans - 1<br> Scan #s - 244<br> Temperature - 3.2 K<br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - High-resolution, fine RCI of structural peak</p> <p>Scan Group F:<br> hkl - (2, 2, 0)<br> # of Scans - 3<br> Scan #s - 245 to 247<br> Temperature - 3.2 K<br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Coarse RCI of structural peak taken at 3 x positions at 3.2 K</p> <p>Scan Group G:<br> hkl - (2, 2, 0)<br> # of Scans - 3<br> Scan #s - 248 to 250<br> Temperature - 87 K<br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Coarse RCI of structural peak taken at 3 x positions at 87 K</p> <p>Scan Group H:<br> hkl - (2, 2, 0)<br> # of Scans - 3<br> Scan #s - 251 to 253<br> Temperature - 120 K<br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Coarse RCI of structural peak taken at 3 x positions at 120 K</p> <p>Scan Group I:<br> hkl - (2, 2, 0)<br> # of Scans - 6<br> Scan #s - 254 to 259<br> Temperature - 93 K, 94 K, 94.1 K, 94.2 K, 94.3 K, 94.4 K<br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Coarse RCI taken at various temperatures through the transition (warming)</p> <p>Scan Group J:<br> hkl - (2, 2, 0)<br> # of Scans - 1<br> Scan #s - <br> Temperature - <br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Static theta images taken continuously during warming from 89.4 K and up</p> <p>Scan Group K:<br> hkl - (2, 2, 0)<br> # of Scans - 1<br> Scan #s - <br> Temperature - <br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Static theta images taken continuously during warming from 96 K and up</p> <p>Scan Group L:<br> hkl - (2, 2, 0)<br> # of Scans - 1<br> Scan #s - <br> Temperature - <br> Exposure Time - 5 seconds<br> X-ray Energy - 22 keV<br> Total Magnification - 130x<br> Effective Pixel Size - 0.050 um/pixel<br> Description - Static theta images taken continuously during warming from 126 K and up</p> <h2># Data Processing and Analysis</h2> <p>Standard DFXM data processing involves fitting a Gaussian curve to the theta-dependent intensity curve of each pixel in a rocking curve imaging scan. Plotting various gaussian fit parameters for each pixel creates parameter maps that highlight different sources of contrast.</p> <p>Basic analysis scripts (ex. MR23_SGA_basicAnalysis.py) are included for all scan groups in this repository. All analysis is done in Python 3, using various free packages and self-defined scripts are stored in a sub folder named DiffractionMaster. The code is updated as of June 2024.</p> <h2># Contact Information</h2> <p>For any questions or further information, please contact:</p> <p> Jayden C. Plumb: jaydencplumb@gmail.com</p> <p>This dataset and associated documentation are part of research conducted at the Advanced Photon Source, Argonne National Laboratory and funded through the National Science Foundation and Department of Energy and under the supervision of host institution UC Santa Barbara. Please cite appropriately if used in your work.</p> <p> </p> <h1>## Description of HDRM data on CsV3Sb5 collected at ID4B QM2 of the Cornell High Energy Synchrotron Source ##</h1> <h2>Overview</h2> <p>This repository also contains high dynamic range mapping analysis data of CsV3Sb5 collected in the 35 K to 300 K range at different cooling rates. The experiment was conducted at the QM2 beamline of the Cornell High Energy Synchrotron Source (CHESS) in February of 2023. Corresponding CHESS beamline scientist: Suchi Sarker.<br>X-TEC machine learning algorithm was perform by Krishnanand Mallayya. Magnetic characterization accompaning the diffraction data on three samples of the batch was performed by Andrea Capa Salinas at the Materials Research Lab's Low Temperature facilities at UC Santa Barbara.<br><br></p> <h1># Data structure and analysis</h1> <p>"HDRM_Repository_Data" folder contains both: X-TEC analysis of HDRM data, and magnetization data.</p> <p>.txt files have the naming:</p> <p>"CrystalX_Fast/Slow_cool_CDW" and correspond to X-TEC analysis data with straightforward naming. Each can have up to four columns. Column objects are:</p> <p>T (K): Temperature<br>2x2x2: Cluster average intensity for a half-type peaks whose average intensity tracks a similar temperature-dependent trajectory<br>2x2x2+2x2x4: Cluster average intensity for a half-type peaks mixed with quarter-type peaks whose average intensity tracks a similar temperature-dependent trajectory.</p> <p>.dat files have the naming:</p> <p>"GP-CVS-1-X-mass(mg)_FC/ZFC-field(Oe)" and have the standard Quantum Design MPMS3 data file format. We extract "Temperature (K)", "Magnetic Field (Oe)" and "Moment (emu)" to calculate magnetic susceptibility and volumetric susceptibility of three samples in the batch used for HDRM and DFXM experiments.</p>
X-Ray diffraction images from a crystal of the NTD domain of D. radiodurans DdrC - Crystal form xMJ7102
<p>Dimer of the N-terminal domain (NTD) of DNA-Damage Response Protein C (DdrC) from Deinococcus radiodurans. Crystal Form xMJ7102</p>
A comparative study of epitaxial InGaAsBi/InP structures using Rutherford Backscattering Spectrometry, X-ray diffraction and Photoluminescence techniques.
<p>In this work we used a combination of photoluminescence (PL), high resolution X-ray diffraction (XRD) and Rutherford backscattering spectrometry (RBS) techniques to investigate material quality and structural properties of MBE-grown InGaAsBi samples (with and without an InGaAs cap layer) with targeted bismuth composition in the 3-4% range. XRD data showed that the InGaAsBi layers are more homogenous in the uncapped samples. For the capped samples, the growth of the InGaAs capped layer at higher temperature affects the quality of the InGaAsBi layer and bismuth distribution in the growth direction. Low temperature PL exhibited multiple emission peaks; the peak energies, widths and relative intensities were used for comparative analysis of the data in line with the XRD and RBS results. RBS data at random orientation together with channelled measurements allowed both an estimation of the bismuth composition as well as analysis of the structural properties. The RBS channelling showed evidence of higher strain due to possible anti-site defects in the capped samples grown at a higher temperature. It is also suggested that the growth of the capped layer at high temperature causes deterioration of the bismuth-layer quality. The RBS analysis demonstrated evidence of a reduction of homogeneity of uncapped InGaAsBi layers with increasing bismuth concentration. The uncapped higher bismuth concentration sample showed less defined channelling dips suggesting poorer crystal quality and clustering of bismuth on the sample surface.</p>
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