COMM cdo
! Files => DAT-file:       ,  PCR-file: D:\New Projects2\15-Rietveld-Khalili-SUB\files for send\1-powder diffraction\CIF\CdO500c
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
   0   7   1   0   0   0   0   0   0   0   0   4   0   0   0   0   0   0   1
!
!  Resolution file for Pattern#   1
C:\FullProf_Suite\Examples\lab6.irf
!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
   0   0   1   0   1   0   4   0   0   1   0   0   0   0   0   0   0
!
! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
 1.540560 1.544390  0.50000   40.000  8.0000  0.9100  0.0000    0.00    0.0000  0.0000
!
!NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
  1  0.10  1.00  1.00  1.00  1.00     20.0200   0.026002   150.0000   0.000   0.000
!
!
       8    !Number of refined parameters
!
!  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
  0.03242    0.0  0.00024   31.0  0.00000    0.0 0.000000    0.00   0
!   Background coefficients/codes  for Pattern#  1  (Polynomial of 6th degree)
    3921.700     -10.410      -3.970       7.080       0.000       0.000
        0.00       51.00       61.00       41.00        0.00        0.00
!-------------------------------------------------------------------------------
!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:     0.00
!-------------------------------------------------------------------------------
cdo                                                                                                                                                                 
!
!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
   2   0   0 0.0 0.0 1.0   0   0   0   1   0     332835.844   0   7   0
!
f m -3 m                 <--Space group symbol
!Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
cd     cd      0.00000  0.00000  0.00000  1.00000   0.50000   0   0   0    0                                                                                  
                  0.00     0.00     0.00     0.00      0.00
s      s       0.50000  0.50000  0.50000  1.00000   0.50000   0   0   0    0                                                                                  
                  0.00     0.00     0.00     0.00      0.00
!-------> Profile Parameters for Pattern #  1
!  Scale        Shape1      Bov      Str1      Str2      Str3   Strain-Model
 0.42579E-06   0.00000   0.00000   0.00000   0.00000   0.00000      14
    11.00000     0.000     0.000     0.000     0.000     0.000
!       U         V          W           X          Y        GauSiz   LorSiz Size-Model
   0.000000   0.000000   0.000000   0.000000   0.000000   0.000000   0.000000   22
      0.000      0.000      0.000      0.000      0.000      0.000      0.000
!     a          b         c        alpha      beta       gamma      #Cell Info
   4.692310   4.692310   4.692310  90.000000  90.000000  90.000000                                                                                   
   21.00000   21.00000   21.00000    0.00000    0.00000    0.00000
!  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000
     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
!   Y00        Y20         Y21+       Y21-        Y22+      Y22- 
   4.431640  -0.381384   0.577311   0.016939  -0.141419   0.044574
      81.00       0.00       0.00       0.00       0.00      71.00
!       S_400         S_220
     22.200001     33.000000
          0.00          0.00
!  Lorentzian strain coeff.+ code 
       1.04300       0.00000
!  2Th1/TOF1    2Th2/TOF2  Pattern # 1
      20.020      79.981       1