Dataset Open Access

Dataset: Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures

Lütgert, Bernhard Julian; Vorberger, Jan; Hartley, Nicholas; Voigt, Katja; Rödel, Melanie; Schuster, Anja; Benuzzi-Mounaix, Alessandra; Brown, Shaughnessy; Cowan, Thomas; Cunningham, Eric; Döppner, Tilo; Falcone, Roger W.; Fletcher, Luke B.; Galtier, Eric; Glenzer, Siegfried H.; Laso García, Alejandro; Gericke, Dirk O.; Heimann, Phil A.; Lee, Hae J.; McBride, Emma E.; Pelka, Alexander; Prencipe, Irene; Saunders, Alison M.; Schölmerich, Markus; Schörner, Maximilian; Sun, Peihao; Vinci, Tommaso; Ravasio, Alessandra; Kraus, Dominik


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        "affiliation": "HZDR, TU Dresden", 
        "name": "L\u00fctgert, Bernhard Julian"
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        "affiliation": "HZDR", 
        "name": "Vorberger, Jan"
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        "affiliation": "SLAC, HZDR", 
        "name": "Hartley, Nicholas"
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        "affiliation": "HZDR, TU Dresden", 
        "name": "Voigt, Katja"
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        "affiliation": "HZDR, TU Dresden", 
        "name": "R\u00f6del, Melanie"
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        "affiliation": "HZDR, TU Dresden", 
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        "name": "Benuzzi-Mounaix, Alessandra"
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        "affiliation": "HZDR, TU Dresden", 
        "name": "Cowan, Thomas"
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        "affiliation": "SLAC", 
        "name": "Cunningham, Eric"
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      {
        "affiliation": "Lawrence Livermore National Laboratory", 
        "name": "D\u00f6ppner, Tilo"
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      {
        "affiliation": "University of California, Lawrence Berkeley National Laboratory", 
        "name": "Falcone, Roger W."
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        "name": "Fletcher, Luke B."
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        "affiliation": "SLAC", 
        "name": "Galtier, Eric"
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        "affiliation": "SLAC", 
        "name": "Glenzer, Siegfried H."
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        "orcid": "0000-0002-7671-0901", 
        "affiliation": "HZDR", 
        "name": "Laso Garc\u00eda, Alejandro"
      }, 
      {
        "affiliation": "University of Warwick", 
        "name": "Gericke, Dirk O."
      }, 
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        "affiliation": "SLAC", 
        "name": "Heimann, Phil A."
      }, 
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        "affiliation": "SLAC", 
        "name": "Lee, Hae J."
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        "affiliation": "SLAC", 
        "name": "McBride, Emma E."
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        "affiliation": "HZDR", 
        "name": "Pelka, Alexander"
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        "affiliation": "HZDR", 
        "name": "Prencipe, Irene"
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      {
        "affiliation": "University of California", 
        "name": "Saunders, Alison M."
      }, 
      {
        "affiliation": "European XFEL", 
        "name": "Sch\u00f6lmerich, Markus"
      }, 
      {
        "affiliation": "SLAC, Universit\u00e4t Rostock", 
        "name": "Sch\u00f6rner, Maximilian"
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        "affiliation": "SLAC", 
        "name": "Sun, Peihao"
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        "name": "Vinci, Tommaso"
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        "affiliation": "LULI", 
        "name": "Ravasio, Alessandra"
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        "affiliation": "Universit\u00e4t Rostock, HZDR", 
        "name": "Kraus, Dominik"
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    "pub_id": "32679", 
    "title": "Dataset: Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures", 
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    "description": "<p>This repository contains raw-data related to our publication &quot;Measuring the structure and equation of state of polyethylene terephthalate at megabar pressures&quot;.</p>\n\n<p>The XRD data in the &quot;LCLS&quot; folder is accompanied with a &quot;calibration.poni&quot; file that provides information about the experiment&#39;s geometry and can be used in <a href=\"https://doi.org/10.1107/S1600577520000776\">pyFAI</a> (<a href=\"https://github.com/silx-kit/pyFAI\">GitHub page</a>) or <a href=\"https://dx.doi.org/10.1080/08957959.2015.1059835\">Dioptas</a> (<a href=\"https://github.com/Dioptas/Dioptas\">GitHub page</a>) to integrate the two-dimensional data azimuthally. Integrated XRD data after background-subtraction and filter-corrections is presented in Fig. 2 and 3 of the manuscript while 2D data of run 215 is used in Fig. 1. The &quot;shotlist.csv&quot; file contains information about the relative X-ray to drive-laser timing, shot-type and X-ray energy for the individual events.</p>\n\n<p>VISAR, SOP and reflectivity measurements can be found in the &quot;LULI&quot; directory. 2&omega;-VISAR and SOP datasets of shot 08 are displayed as inserts in Fig. 5 (the first after performing a ghost-fringe subtraction). &quot;shotlist.csv&quot; provides additional parameters.</p>\n\n<p>The DFTMD folder contains the results of our density functional theory molecular dynamics simulation.<br>\nIn the &quot;XRD&quot; subdirectory, &quot;wrofk_mylar_chomd*.dat&quot; files can be found in which the quantities to calculate the lineouts in Fig. 3 and 4 are saved for given temperatures, pressures and densities. The header of those files is given in &quot;header.txt&quot; and additional information about the conditions and settings for individual calculations can be obtained from &quot;param_mylar_md.txt&quot;.<br>\nThe dataset for the Hugoniot curve from our DFT-MD equation-of-state (which is plotted in Fig. 5) is provided in the &quot;Hugoniot&quot; sub-folder.</p>", 
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