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Simple CIF (Crystallographic Information File) parser to create reports

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Simple CIF (Crystallographic Information File) parser to create reports

ToDO:

  • Find where max 2 theta values are stored
  • Change Space Group: 'P 1 21/c 1' to P21/c
  • Change Syngony: 'monoclinic' to Monoclinic
  • Change coefficient mu from cm-1 to mm-1: 0.105 to 1.05
  • Append min diffraction density to max: 0.317 and -0.280 to 0.317 / -0.280

Install:

  1. make
  2. Add folder with cif_reader.exe to your PATH

Usage for Windows:

  1. Call from command line cif_reader.exe your_file.cif or drag&drop your_file.cif on cif_reader.exe
  2. Copy data from cif_result.txt from folder with your_file.cif to your report

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