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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070641
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.027
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   51.1450 1.785385  10  1  0    2   51.1397  1.785559   -0.0053 -0.000174
   52.9021 1.730118   2  5  0    2   52.8976  1.730256   -0.0045 -0.000138
   62.5561 1.484201  10  3  1    2   62.5523  1.484281   -0.0038 -0.000081
   36.3743 2.469685   5  2  1    2   36.3715  2.469867   -0.0028 -0.000182
   67.2977 1.390644  11  3  1    2   67.2961  1.390673   -0.0016 -0.000029
   35.4697 2.530619   1  3  1    2   35.4684  2.530706   -0.0013 -0.000088
   27.0127 3.301388   1  2  1    2   27.0115  3.301535   -0.0012 -0.000147
   46.4149 1.955815   6  3  1    2   46.4138  1.955858   -0.0011 -0.000043
   31.6721 2.825109   5  1  1    2   31.6714  2.825168   -0.0007 -0.000059
   36.0216 2.493072   2  0  2    2   36.0217  2.493063    0.0001  0.000009
   30.4190 2.938678   3  2  1    2   30.4200  2.938585    0.0010  0.000093
   63.2963 1.468607   0  6  0    2   63.2981  1.468570    0.0018  0.000037
   31.1300 2.873102   6  1  0    2   31.1321  2.872915    0.0021  0.000187
   42.8050 2.112126   6  3  0    2   42.8086  2.111958    0.0036  0.000169
   20.1615 4.406635   0  2  0    2   20.1658  4.405710    0.0043  0.000925
   33.1358 2.703480   4  2  1    2   33.1404  2.703115    0.0046  0.000365
   28.1670 3.168531   4  2  0    2   28.1724  3.167937    0.0054  0.000594
   72.3044 1.306139  12  3  1    2   72.3102  1.306048    0.0058  0.000091
   13.9832 6.340479   2  1  0    2   13.9934  6.335874    0.0102  0.004606

 rmse = 0.00003853490
 
     A =18.2339(5)             B =8.8114(3)               C =5.1837(6)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 832.85(9)