Instructions on optional parameters

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

rmin=0 : the minimum value of fit range, in units of Å. Default value 0.

rmax=20 : the maximum value of fit range, in units of Å. Default value 20.

qmin=0 : the lower limit in Fourier transformation, in units of Å^-1. Default value 0.

qmax=31.4 : the upper limit in Fourier transformation, in units of Å^-1. Default value 31.4.

qdamp=0.02 : the instrument resolution parameter Qdamp, in units of Å^-1. Default value 0.02.

qbroad=0.02 : the instrument resolution parameter Qbroad, in units of Å^-1. Default value 0.02.

uiso=0.005 : the Uiso value of atoms, in units of Å^-2. Default 0.005.