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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060914
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.3778 9.437717   0  2  0    2    9.3741  9.441396   -0.0037 -0.003679
   13.2753 6.671283  -1  1  0    2   13.2752  6.671354   -0.0001 -0.000071
   16.5147 5.368098   1  2  0    2   16.5057  5.370993   -0.0090 -0.002895
   18.7951 4.721105   0  4  0    2   18.7967  4.720698    0.0016  0.000407
   23.2434 3.826096   1 -1  1    2   23.2434  3.826096    0.0000  0.000000
   23.8707 3.726888   1  1  1    2   23.8707  3.726888    0.0000  0.000000
   25.7692 3.456301   2  0  0    2   25.7675  3.456525   -0.0017 -0.000224
   25.9203 3.436483  -1  5  0    2   25.9291  3.435341    0.0088  0.001142
   26.7165 3.335793  -2  2  0    2   26.7174  3.335677    0.0009  0.000116
   27.8312 3.204596   1  5  0    2   27.8265  3.205129   -0.0047 -0.000533
   28.2084 3.162574   2  2  0    2   28.2055  3.162892   -0.0029 -0.000318
   33.3526 2.685392   2  4  0    2   33.3513  2.685497   -0.0013 -0.000104
   34.6785 2.585650  -1  7  0    2   34.6722  2.586109   -0.0063 -0.000459
   38.9594 2.310716  -3  1  0    2   38.9657  2.310359    0.0063  0.000357
   39.7716 2.265362   3  1  0    2   39.7768  2.265075    0.0052  0.000286
   42.8674 2.108599   3  3  0    2   42.8675  2.108595    0.0001  0.000004
   44.3060 2.043391  -3  5  0    2   44.3087  2.043272    0.0027  0.000119
   47.8906 1.898428  -4 -1  2    2   47.8906  1.898428    0.0000  0.000000
   48.1699 1.888067   0 10  0    2   48.1642  1.888279   -0.0057 -0.000212
   52.9544 1.728147   4  0  0    2   52.9506  1.728263   -0.0038 -0.000116
   54.4245 1.684876   3  7  0    2   54.4217  1.684956   -0.0028 -0.000080
   57.4629 1.602775   2 10  0    2   57.4711  1.602565    0.0082  0.000210
   80.5892 1.191242   5  7  0    2   80.5881  1.191256   -0.0011 -0.000014

 rmse = 0.00004446530
 
     A =7.760(1)               B =18.947(1)               C =6.994(3)            
 Alpha =89.8(1)             Beta =116.64(2)           Gamma =94.30(5)            
 
 Volume = 916.1(4)