COMM Y2O3_demo
! Current global Chi2 (Bragg contrib.) =      1.863    
! Files => DAT-file: y2o3_demo.dat,  PCR-file: Y2O3_2
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
   0   7   1   0   2   0   0   0   0   0   0   0   0   0   0   0   0   0   1
!
!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   3  10   0   0   0   0   0   0
!
! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
 1.540560 0.000000  0.00000   40.000   8.000  0.7900  0.0000   90.00    0.0000  0.0000
!
!NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
 10  0.10  1.00  1.00  1.00  1.00      2.0600   0.010000   150.0000   0.000   0.000
!
! Excluded regions (LowT  HighT) for Pattern#  1
       90.00      150.00
        0.00       15.00
! 
!
      22    !Number of refined parameters
!
!  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
 -0.06177   41.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
!   Background coefficients/codes  for Pattern#  1  (Polynomial of 6th degree)
      43.888      -4.157     -25.511     -35.495     113.042     -57.050
       21.00       31.00       71.00       11.00       91.00       81.00
!-------------------------------------------------------------------------------
!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.9069
!-------------------------------------------------------------------------------
Y2O3
!
!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
   3   0   0 1.0 1.0 1.0   0   0   0   0   0       3613.046   0   7   0
!
!
I a -3                   <--Space group symbol
!Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
Y1     Y       0.25000  0.25000  0.25000  0.48261   0.16667   0   0   0    0  
                  0.00     0.00     0.00   101.00      0.00
Y2     Y       0.96812  0.00000  0.25000  0.40514   0.50000   0   0   0    0  
                131.00     0.00     0.00   111.00      0.00
O1     O       0.39090  0.15150  0.38000  0.19391   1.00000   0   0   0    0  
                 51.00    61.00     0.00   121.00      0.00
!-------> Profile Parameters for Pattern #   1  ----> Phase #   1
!  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
 0.2246013E-04   0.00000   0.00000   0.00000   0.00000   0.00000       0
     161.00000     0.000     0.000     0.000     0.000     0.000
!       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
     0.004264     0.001769    -0.000368     0.134259     0.037684     0.000000     0.000000       0
       171.00       181.00       191.00       201.00       211.00         0.00         0.00
!     a          b         c        alpha      beta       gamma      # Cell Info
  10.595871  10.595871  10.595871  90.000000  90.000000  90.000000   
  151.00000  151.00000  151.00000    0.00000    0.00000    0.00000
!  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
 -0.28291  0.00000  0.00000  0.00000  0.00000  0.00000  0.06083  0.00000
   221.00     0.00     0.00     0.00     0.00     0.00   141.00     0.00
!  2Th1/TOF1    2Th2/TOF2  Pattern to plot
       2.060      90.000       1