Dataset Open Access

Raw Data of Pilot Plant Runs for CONSENS Project (Case Study 1)

Simon Kern; Lukas Wander; Klas Meyer; Svetlana Guhl; Anwesh Reddy Gottu Mukkula; Manuel Holtkamp; Malte Salge; Christoph Fleischer; Nils Weber; Rudibert King; Sebastian Engell; Andrea Paul; Manuel Pereira Remelhe; Michael Maiwald


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{
  "inLanguage": {
    "alternateName": "eng", 
    "@type": "Language", 
    "name": "English"
  }, 
  "description": "<p>In&nbsp;case study one of the CONSENS project, two aromatic substances were coupled by a lithiation reaction, which is a prominent example in pharmaceutical industry. The two aromatic reactants (Aniline and <em>o</em>-FNB) were mixed with Lithium-base (LiHMDS)&nbsp;in a continuous modular plant&nbsp;to produce the desired product (Li-NDPA) and a salt (LiF). The salt precipitates which leads to the formation of particles. The feed streams were&nbsp;subject to&nbsp;variation to drive the plant to its optimum.&nbsp;</p>\n\n<p>The uploaded data comprises the results from four days during continuous plant operation time. Each day is denoted from day 1-4 and represents the dates 2017-09-26,&nbsp;2017-09-28,&nbsp;2017-10-10,&nbsp;2017-10-17.</p>\n\n<p>In the following the contents of the files are explained.</p>\n\n<p><strong>NIR_data_AQ15_raw.zip: </strong>Contains Bruker binary files (0-Files)&nbsp;of NIR spectrometer at AQ15 (Location is located subsequently to NMR spectrometer)</p>\n\n<p><strong>NMR_spectra_raw.zip:&nbsp;</strong>Contains Spinsolve files (Binarys of&nbsp;FID and Spectrum, DX-Files) of NMR spectrometer. The use of DX-files files is not recommended.</p>\n\n<p><strong>PCS_data_csv.zip</strong>: Contains csv-files of the process control system (PCS) including data of mass flow controlers (*_Bilanz.csv),&nbsp;filling level (*_FillLe.csv), pressures (*_pres), temperatures (*_Temp), position of valves (*_Valves). Relevant labels are: BP13 = LiHMDS&nbsp;storage tank, BP12 = aniline storage tank, BP12 = <em>o</em>-FNB storage tank, CM003 and CM004 = tubular reactors, T0041 and T005 = Temperature at reactor exits, P009 and P003 = Pressure at reactor inlets, P006 = Pressure at reactor exits.</p>\n\n<p><strong>housing_data_NMR.csv</strong>: Contrains data of NMR enclosure of all four days. Each columns from left to right represent timestamps, bypass pressure (bar), bypass temperature (&deg;C), Gasalarm (logical), bypass actual flowrate (g&nbsp;min<sup>-1</sup>),&nbsp; bypass flowrate setpoint (g&nbsp;min<sup>-1</sup>), bypass density (kg&nbsp;m<sup>3</sup>)</p>\n\n<p><strong>matlab_variables_explanation.xlsx</strong>: Explanation of variables used in matlab structure &quot;data_validation_run&quot;.</p>\n\n<p><strong>data_validation_run.mat</strong>: Matlab structure containing most relevant process data including NMR results, NIR results, housing data of NMR, and process control system data.</p>", 
  "license": "http://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Bundesanstalt f\u00fcr Materialforschung und \u2013pr\u00fcfung (BAM)", 
      "@id": "https://orcid.org/0000-0002-5092-1591", 
      "@type": "Person", 
      "name": "Simon Kern"
    }, 
    {
      "affiliation": "Bundesanstalt f\u00fcr Materialforschung und \u2013pr\u00fcfung (BAM)", 
      "@id": "https://orcid.org/0000-0003-4558-6140", 
      "@type": "Person", 
      "name": "Lukas Wander"
    }, 
    {
      "affiliation": "Bundesanstalt f\u00fcr Materialforschung und \u2013pr\u00fcfung (BAM)", 
      "@id": "https://orcid.org/0000-0003-1837-3801", 
      "@type": "Person", 
      "name": "Klas Meyer"
    }, 
    {
      "affiliation": "Bundesanstalt f\u00fcr Materialforschung und \u2013pr\u00fcfung (BAM)", 
      "@type": "Person", 
      "name": "Svetlana Guhl"
    }, 
    {
      "affiliation": "Dortmund University of Technology", 
      "@id": "https://orcid.org/0000-0002-1769-6214", 
      "@type": "Person", 
      "name": "Anwesh Reddy Gottu Mukkula"
    }, 
    {
      "affiliation": "INVITE GmbH", 
      "@type": "Person", 
      "name": "Manuel Holtkamp"
    }, 
    {
      "affiliation": "INVITE GmbH", 
      "@type": "Person", 
      "name": "Malte Salge"
    }, 
    {
      "affiliation": "INVITE GmbH", 
      "@type": "Person", 
      "name": "Christoph Fleischer"
    }, 
    {
      "affiliation": "Bayer AG", 
      "@type": "Person", 
      "name": "Nils Weber"
    }, 
    {
      "affiliation": "Berlin University of Technology", 
      "@id": "https://orcid.org/0000-0002-0997-0498", 
      "@type": "Person", 
      "name": "Rudibert King"
    }, 
    {
      "affiliation": "Dortmund University of Technology", 
      "@type": "Person", 
      "name": "Sebastian Engell"
    }, 
    {
      "affiliation": "Bundesanstalt f\u00fcr Materialforschung und \u2013pr\u00fcfung (BAM)", 
      "@id": "https://orcid.org/0000-0003-2849-4754", 
      "@type": "Person", 
      "name": "Andrea Paul"
    }, 
    {
      "affiliation": "Bayer AG", 
      "@type": "Person", 
      "name": "Manuel Pereira Remelhe"
    }, 
    {
      "affiliation": "Bundesanstalt f\u00fcr Materialforschung und \u2013pr\u00fcfung (BAM)", 
      "@id": "https://orcid.org/0000-0003-4309-728X", 
      "@type": "Person", 
      "name": "Michael Maiwald"
    }
  ], 
  "url": "https://zenodo.org/record/1438233", 
  "datePublished": "2018-09-28", 
  "version": "1.0", 
  "keywords": [
    "Process Analytical Technology", 
    "Multivariate Data Analysis", 
    "Nuclear Magnetic resonance", 
    "Near Infrared Spectroscopy", 
    "Continuous Manufacturing"
  ], 
  "@context": "https://schema.org/", 
  "distribution": [
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/data_validation_run.mat", 
      "@type": "DataDownload", 
      "fileFormat": "mat"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/housing_data_NMR.csv", 
      "@type": "DataDownload", 
      "fileFormat": "csv"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/matlab_variables_explanation.xlsx", 
      "@type": "DataDownload", 
      "fileFormat": "xlsx"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/NIR_data_AQ15_raw.zip", 
      "@type": "DataDownload", 
      "fileFormat": "zip"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/NMR_spectra_processed_csv.zip", 
      "@type": "DataDownload", 
      "fileFormat": "zip"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/NMR_spectra_raw.zip", 
      "@type": "DataDownload", 
      "fileFormat": "zip"
    }, 
    {
      "contentUrl": "https://zenodo.org/api/files/c70ce8c5-7574-4ca7-8ff8-3f5b2892a98f/PCS_data_csv.zip", 
      "@type": "DataDownload", 
      "fileFormat": "zip"
    }
  ], 
  "identifier": "https://doi.org/10.5281/zenodo.1438233", 
  "@id": "https://doi.org/10.5281/zenodo.1438233", 
  "@type": "Dataset", 
  "name": "Raw Data of Pilot Plant Runs for CONSENS Project (Case Study 1)"
}
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