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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R040181
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.044
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.9262 5.947692   1  1  0    2   14.9338  5.944686    0.0076  0.003006
   18.1815 4.886894   0  1  1    2   18.1885  4.885024    0.0070  0.001869
   21.6433 4.110849   2  0  0    2   21.6447  4.110582    0.0014  0.000267
   23.3553 3.812677   1  2  0    2   23.3569  3.812421    0.0016  0.000256
   24.0136 3.709436   2  1  0    2   24.0151  3.709203    0.0015  0.000233
   31.9222 2.804921   0  1  2    2   31.9237  2.804789    0.0015  0.000132
   33.0922 2.708244   1  3  0    2   33.0883  2.708555   -0.0039 -0.000312
   34.3644 2.610709   3  1  0    2   34.3577  2.611205   -0.0067 -0.000496
   34.7568 2.582091   0  3  1    2   34.7483  2.582704   -0.0085 -0.000613
   36.8021 2.442977   0  2  2    2   36.8093  2.442512    0.0072  0.000464
   42.0020 2.151455   0  4  0    2   42.0003  2.151539   -0.0017 -0.000084
   45.7897 1.981738   3  3  0    2   45.7940  1.981562    0.0043  0.000176
   49.9791 1.824848  -3  2  2    2   49.9791  1.824848    0.0000  0.000000
   50.8071 1.797008   0  2  3    2   50.8043  1.797102   -0.0028 -0.000094
   52.5382 1.741750   0  4  2    2   52.5388  1.741732    0.0006  0.000018
   54.4579 1.684750   1  5  0    2   54.4595  1.684704    0.0016  0.000046

 rmse = 0.00004005411
 
     A =8.2212(8)              B =8.6062(4)               C =5.9335(4)           
 Alpha =90                  Beta =90.11(1)            Gamma =90                  
 
 Volume = 419.81(5)