A Powder pattern is generated for the supplied reflection file containing F(obs)**2 data and cell and symmetry info in .res, .cif or .spf format.
Example: use a name.res & associated name.hkl for the structure of interest.
I(obs) data are calculated from F(obs) or F(obs)**2 data and includes the reverse application of the Lp-correction factors.
The data are first averaged according to the Laue symmetry associated with the space group symmetry as supplied. The number of missing data is reported (commonly low order reflections, often not in the data set for various reasons - behind the beamstop etc). Subsequently, the data set is expanded to a halfsphere of reflections (recorded in a file with extension .hkp).
A powder file is generated in CPI format on a file with extension .cpi
Notes:
The optional parameter ttm can be used to select the twotheta range:
1 = 20, 2 = 40, 3 = 60, 4 = 80 and 5 = 180 degrees.