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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060324
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.109
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.7249 7.010426  -1  0  2    2   12.7069  7.020388   -0.0180 -0.009961
   13.7870 6.468379  -2  0  2    2   13.7963  6.463990    0.0093  0.004389
   17.2084 5.181094   0  1  0    2   17.2091  5.180888    0.0007  0.000206
   28.7922 3.109650  -4  1  3    2   28.7869  3.110208   -0.0053 -0.000558
   34.7198 2.589450   0  2  0    2   34.7061  2.590444   -0.0137 -0.000994
   39.9436 2.261093  -7  1  4    2   39.9530  2.260581    0.0094  0.000512
   47.5580 1.914487  -7  2  2    2   47.5595  1.914429    0.0015  0.000059
   52.5931 1.742055  11  0  0    2   52.5857  1.742284   -0.0074 -0.000230
   55.2308 1.664771  -3  1  8    2   55.2400  1.664513    0.0092  0.000257
   57.3099 1.609102  -7  2  6    2   57.3117  1.609056    0.0018  0.000045
   69.9359 1.345841   7  1  7    2   69.9386  1.345796    0.0027  0.000045
   80.9704 1.187732   5  4  2    2   80.9706  1.187730    0.0002  0.000002
   82.2657 1.172254  -5  0 12    2   82.2605  1.172315   -0.0052 -0.000061
   86.9103 1.121063 -16  2  2    2   86.9113  1.121052    0.0010  0.000010

 rmse = 0.00007398336
 
     A =20.036(1)              B =5.1809(3)               C =14.0678(6)          
 Alpha =90                  Beta =106.959(6)          Gamma =90                  
 
 Volume = 1396.8(1)