1.1 Summary

Here is a short summary of the PDFFIT specific commands currently available:

alloc   : Allocates space for calculating PDFs without reading data
bang    : Calculates bond angles with standard deviations
blen    : Calculates bond lengths with standard deviations
calc    : Calculates PDF from current structure
cycle   : Sets the maximum number of refinement cycles
i/jdese : Selects atoms used for calculating the PDF
i/jsele : Deselects atoms used for calculating the PDF
occ     : Sets occupancy for a given site
par     : Sets a parameter definition
phase   : Switches active structural phase
psel    : Associates structural phases with data sets
range   : Sets r-range used for refinement
read    : Reads structure and PDF data files
reset   : Resets PDFFIT
run     : Starts a refinement
save    : Saves resulting structure, PDF data and fit results
scat    : Overwrites internal scattering factor for given element
show    : Shows various information
temp    : Sets anisotropic temperature factor
urf     : Sets URF (magic refinement number)
xray    : Specifies Q-value for calculating X-ray form factors