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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050407
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.050
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.3997 7.789610   0  1  1    2   11.4035  7.786983    0.0038  0.002627
   12.6826 7.001294   0  2  0    2   12.6876  6.998519    0.0050  0.002775
   14.1567 6.272840   1  0  0    2   14.1639  6.269646    0.0072  0.003194
   15.2853 5.810615  -1  1  1    2   15.2881  5.809556    0.0028  0.001059
   20.0182 4.442795   0  1  2    2   20.0164  4.443189   -0.0018 -0.000394
   20.1813 4.407167  -1  1  2    2   20.1819  4.407027    0.0006  0.000140
   20.7117 4.295216   1  1  1    2   20.7175  4.294024    0.0058  0.001192
   21.3049 4.176664   0  3  1    2   21.3050  4.176643    0.0001  0.000021
   23.6490 3.766836  -1  3  1    2   23.6465  3.767222   -0.0025 -0.000387
   27.9774 3.192084  -2  0  2    2   27.9712  3.192780   -0.0062 -0.000697
   28.6969 3.113526  -2  1  2    2   28.7035  3.112825    0.0066  0.000702
   29.8486 2.995761  -1  2  3    2   29.8499  2.995636    0.0013  0.000125
   30.4683 2.936127   1  2  2    2   30.4701  2.935960    0.0018  0.000167
   30.8020 2.905023  -2  2  2    2   30.8047  2.904778    0.0027  0.000245
   32.4016 2.764946   1  4  1    2   32.4005  2.765039   -0.0011 -0.000093
   32.9987 2.716191  -2  1  3    2   32.9975  2.716286   -0.0012 -0.000095
   33.4229 2.682629   0  5  1    2   33.4273  2.682282    0.0044  0.000346
   34.4951 2.601539   2  3  0    2   34.4883  2.602041   -0.0068 -0.000501
   36.3538 2.472495  -1  1  4    2   36.3483  2.472859   -0.0055 -0.000364
   37.4485 2.402599   0  5  2    2   37.4394  2.403163   -0.0091 -0.000564
   38.0668 2.364934  -1  2  4    2   38.0719  2.364628    0.0051  0.000306
   39.3580 2.290173  -2  1  4    2   39.3557  2.290300   -0.0023 -0.000127
   41.2086 2.191374  -1  6  1    2   41.2122  2.191193    0.0036  0.000181
   46.0057 1.973168   1  0  4    2   46.0059  1.973159    0.0002  0.000009
   47.9901 1.896022   2  4  2    2   47.9914  1.895973    0.0013  0.000049
   60.1440 1.538369  -3  1  6    2   60.1448  1.538350    0.0008  0.000019

 rmse = 0.00003353272
 
     A =     6.7241(5)         B =    13.9970(9)          C =    10.0503(4)      
 Alpha =    90.             Beta =   111.186(4)       Gamma =    90.             
 
 Volume =    881.98(6)