COMM   C22H24N2O8HCl  P212121                                             
! Files => DAT-file: aldsync,  PCR-file: aldsync
!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor
   0   5   1  41   2   0   1   1   0   0   1   0   0   0   0   0   0
!
!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 Syo Prf Ins Rpa Sym Hkl Fou Sho Ana
   0   0   1   0   1   0   0   0   1   1   0   1   0   1   2   0   0
!
! lambda1 Lambda2    Ratio   Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz
 0.692000 0.692000  0.0000 90.0000  6.0000  0.0000  0.0000   40.00    0.0000
!
!NCY Eps R_at R_an R_pr R_gl     Thmin       Step       Thmax    PSD    Sent0
 40 0.01 0.20 0.20 0.20 0.80      2.1150     0.0050    40.0000  0.000  0.000
!
!  2Theta/TOF   Background
        2.120     6817.460
        2.370     8024.910
        2.620     9232.360
        3.620     9882.530
        5.570    10904.220
        6.510    11740.140
        7.880    13876.410
        8.570    15548.260
        9.390    17591.641
        9.950    19449.260
       11.400    19449.260
       13.030    18613.330
       13.630    17631.381
       14.080    16369.750
       14.390    15768.970
       15.420    13486.030
       16.010    12524.790
       16.220    12224.400
       16.880    11173.040
       17.070    10992.810
       17.170    10932.730
       19.170    10993.210
       19.850    10815.860
       20.800    10323.240
       22.270     9988.260
       23.410     9771.500
       24.650     9712.390
       25.430     9653.270
       26.500     9653.270
       27.780     9633.570
       29.180     9475.930
       31.140     9160.650
       32.600     9022.710
       33.380     8825.660
       34.330     8589.200
       35.310     8155.690
       36.450     7584.250
       36.740     7281.860
       37.930     7003.220
       39.430     6817.460
       40.000     6724.580
! 
! Excluded regions (LowT  HighT)
        1.00        2.50
       40.00      170.00
! 
!
       9    !Number of refined parameters
!
!  Zero    Code    Sycos    Code   Sysin    Code  Lambda     Code MORE
  0.0022   11.00  0.0000    0.00  0.0000    0.00 0.000000    0.00   0
!-------------------------------------------------------------------------------
!  Data for PHASE number:   1  ==> Current R_Bragg:     1.96
!-------------------------------------------------------------------------------
 C22H24N2O8HCl                                                        
!
!Nat Dis Mom Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth     ATZ   Nvk Npr More
   0   0   0 1.0 0.0 0.0   2   2   0   0   0        0.00   0   5   0
!
P 21 21 21              <--Space group symbol
!  Scale       Shape1      Bov     Str1     Str2     Str3    Strain-Model
 0.10000E-04   0.3694   0.0000   0.0000   0.0000   0.0000       0
     0.00000    21.00     0.00     0.00     0.00     0.00
!      U        V         W          X         Y       GauSiz   LorSiz Size-Model
   0.00600   0.00446   0.00257   0.00000   0.00000   0.00000   0.00000   0
      0.00     41.00     31.00      0.00      0.00      0.00      0.00
!     a          b         c        alpha      beta       gamma
  10.980181  12.852233  15.733344  90.000000  90.000000  90.000000
   51.00000   61.00000   71.00000    0.00000    0.00000    0.00000
!  Pref1  Pref2   Asy1    Asy2    Asy3     Asy4
 1.00000 0.00000-0.00601-0.00346 0.00000 0.00000
    0.00    0.00   81.00   91.00    0.00    0.00