You may specify one or multiple optional parameters as follows for auto fitting powder diffraction pattern in the format of parameter=value, separated by comma (,) if multiple. For example, type or if POWGEN is the active selection, in the optional parameter box to start fitting.
The default values are listed as follows.
bank=4 : the neutron time-of-flight banks from 1 to 6. Default bank 4. Not valid for x-ray.
xmin=0 : for x-ray, the minimum 2theta value of x-ray powder diffraction pattern data range. Default value 0. For neutron TOF, the minimum TOF value has been pre-set for each bank, see details below, in units of microsecond.
xmax=20 : for x-ray, the maximum 2theta value of x-ray powder diffraction pattern data range. Default value 20. For neutron TOF, the maximum TOF value has been pre-set for each bank, in units of microsecond.
The default neutron TOF minimum and maximum data range, in units of microsecond, are listed below:
Bank 1 : 1500 - 8000
Bank 2 : 2000 - 15000
Bank 3 : 5000 - 17000
Bank 4 : 5000 - 17000
Bank 5 : 5000 - 15000
Bank 6 : 1500 - 8000
For POWGEN, we have three commonly frames, with specifics as below:
Frame 1: Central Wavelength: 0.8 Å, d coverage of 0.1-8 Å @ 60 Hz
Frame 2: Central Wavelength: 1.5 Å, d coverage of 0.5-12.5 Å @ 60 Hz
Frame 3: Central Wavelength: 2.665 Å, d coverage of 1-20.5 Å @ 60 Hz
