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FittingPDF

Instructions on optional parameters

You may specify one or multiple optional parameters as follows for auto fitting PDF in the format of parameter=value, separated by comma (,) if multiple. For example, type in the optional parameter box to start fitting. The default values are listed as follows.

  • rmin=0 : the minimum value of fit range, in units of . Default value 0.
  • rmax=20 : the maximum value of fit range, in units of . Default value 20.
  • qmin=0 : the lower limit in Fourier transformation, in units of -1. Default value 0.
  • qmax=31.4 : the upper limit in Fourier transformation, in units of -1. Default value 31.4.
  • qdamp=0.02 : the instrument resolution parameter Qdamp, in units of -1. Default value 0.02.
  • qbroad=0.02 : the instrument resolution parameter Qbroad, in units of -1. Default value 0.02.
  • uiso=0.005 : the Uiso value of atoms, in units of -2. Default 0.005.
  • qdamp_qbroad_option=n : refining qdamp and qrboad option. 'y' for refining or 'n' for not refining Qdamp Qbroad. Default value 'n'.