Common file associations are name.res with name.hkl and name.cif with name.fcf.
I(obs) data are calculated from F(obs) or F(obs)**2 data involving the reverse application of the Lp-correction. The applied Lp-correction is that for the Debije-Scherrer technique. A Lorentzian style reflection profile, L(x) = I(obs) / (1 + A * x**2), is used.
Firstly, the reflection data are averaged according to the Laue symmetry associated with the space group symmetry as supplied. Subsequently, the data set is expanded to a halfsphere of reflections (recorded in a file with extension .hkp). The number of missing data is reported (commonly low order reflections, that are often not in the data set for various reasons - e.g. behind the beamstop etc).
A powder file can be generated in CPI format on a file with extension .cpi
The optional parameter ttm can be used to select the twotheta range:
1 = 20, 2 = 40, 3 = 60, 4 = 80 and 5 = 180 degrees.
platon -P name.res - Direct path to I(obs) powder pattern on display.
platon -o -P name.ins - Will produce an I(obs) powder pattern as a postscript file and a .cpi SIETRONICS style file.