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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050666
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.6188 6.511071   1  1  0    2   13.6143  6.513231   -0.0045 -0.002160
   18.8028 4.723096   2  0  0    2   18.7987  4.724109   -0.0041 -0.001013
   19.7701 4.493779   0  2  0    2   19.7625  4.495491   -0.0076 -0.001712
   27.3943 3.256563   2  2  0    2   27.3939  3.256615   -0.0004 -0.000052
   29.7389 3.004674  -2  2  1    2   29.7320  3.005359   -0.0069 -0.000684
   30.0617 2.973109   3  1  0    2   30.0698  2.972329    0.0081  0.000780
   30.7706 2.906142  -3  1  1    2   30.7665  2.906517   -0.0041 -0.000375
   34.7671 2.580390  -1  3  1    2   34.7690  2.580251    0.0019  0.000139
   38.8122 2.320046   3  1  1    2   38.8161  2.319820    0.0039  0.000226
   40.5106 2.226537   1  1  2    2   40.5071  2.226722   -0.0035 -0.000185
   41.5910 2.171118   3  3  0    2   41.5918  2.171077    0.0008  0.000041
   42.1225 2.144924  -3  3  1    2   42.1204  2.145029   -0.0021 -0.000104
   42.6579 2.119215  -4  2  1    2   42.6574  2.119240   -0.0005 -0.000025
   44.0696 2.054501   0  4  1    2   44.0620  2.054839   -0.0076 -0.000337
   51.7286 1.766690   1  5  0    2   51.7350  1.766488    0.0064  0.000202
   54.5401 1.682024   0  4  2    2   54.5483  1.681789    0.0082  0.000235
   58.6020 1.574682   6  0  0    2   58.6011  1.574703   -0.0009 -0.000021
   59.1432 1.561550   3  5  0    2   59.1417  1.561584   -0.0015 -0.000035
   61.4036 1.509344  -1  3  3    2   61.4049  1.509315    0.0013  0.000029
   65.0227 1.433767   5  3  1    2   65.0260  1.433702    0.0033  0.000065
   66.9175 1.397677   2  2  3    2   66.9173  1.397680   -0.0002 -0.000003
   75.6377 1.256664   3  5  2    2   75.6323  1.256739   -0.0054 -0.000076

 rmse = 0.00004828225
 
     A =     9.8104(6)         B =     8.9909(4)          C =     5.2641(3)      
 Alpha =    90.             Beta =   105.618(6)       Gamma =    90.             
 
 Volume =    447.17(3)