The Gnu Xtal System User's Manual
PrevChapter 3. Program controlsNext

3.56. RFOURR: Reverse Fourier transform

idnumsinput and output structure factor coefficients
maxhkllimits on h, k, l and sin/

RFOURROption CodeArg Def
 data set number ds n  1
 print control pr n  all
 sort order s/m/f hkl   from bdf
   hlk    
   khl    
   klh    
   lhk    
   lkh    
 reflection signs ph  positive h onlyfrom bdf
   pk  positive k onlyfrom bdf
   pl  positive l onlyfrom bdf
 A and B threshold th t phase if A or B> t 0.005
 Fcal threshold ft q phase if Fcal> q Fo0

maxhkl1-3max value |h|, |k| and |l| to be phasedfrom bdf
 4min value of sin/ to be phasedfrom bdf
 5max value of sin/ to be phasedfrom bdf

idnums [a]1bdf idnum of input Frel coefficient701 or 304
 2bdf idnum of output Fcal coefficient800
 3bdf idnum of output Acal coefficient801
 4bdf idnum of output Bcal coefficient802
 5bdf idnum of output phase coefficient700
Notes:
a. Note that the data set multiplier is not appended to the idnum's.

PrevHomeNext
REGWT: Analyse weightsUpRIGBOD: Generate a Rigid Group