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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040174
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.7669 9.079046   0  2  0    2    9.7568  9.088467   -0.0101 -0.009421
    9.9524 8.909673   0  0  2    2    9.9408  8.920097   -0.0116 -0.010425
   13.9351 6.364866   0  2  2    2   13.9323  6.366154   -0.0028 -0.001288
   19.5458 4.545529   0  4  0    2   19.5514  4.544234    0.0056  0.001296
   19.9259 4.459526   0  0  4    2   19.9235  4.460049   -0.0024 -0.000523
   22.2117 4.004809   0  2  4    2   22.2167  4.003914    0.0050  0.000896
   32.3588 2.767125   2  6  0    2   32.3586  2.767140   -0.0002 -0.000015
   38.8915 2.315645   1  3  7    2   38.8921  2.315608    0.0006  0.000037
   39.7792 2.265949   6  0  0    2   39.7791  2.265956   -0.0001 -0.000007
   42.6020 2.121994   0  6  6    2   42.6008  2.122051   -0.0012 -0.000057
   43.1900 2.094435  -2  8  2    2   43.1910  2.094387    0.0010  0.000048
   50.1791 1.817674   0 10  0    2   50.1785  1.817693   -0.0006 -0.000019

 rmse = 0.00002123816
 
     A =    13.5957(7)         B =    18.1769(6)          C =    17.840(1)       
 Alpha =    90.             Beta =    89.89(3)        Gamma =    90.             
 
 Volume =   4408.8(4)