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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060409
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   45.4114 1.996909   2  2  4    2   45.4216  1.996485    0.0102  0.000424
   64.6100 1.441969   3  1  6    2   64.6193  1.441784    0.0093  0.000186
   17.6030 5.043352   0  0  2    2   17.6097  5.041437    0.0067  0.001915
   26.9197 3.313199   2  0  2    2   26.9253  3.312517    0.0056  0.000682
   62.5528 1.484378   5  2  3    2   62.5584  1.484258    0.0056  0.000120
   33.1317 2.704204   3  1  1    2   33.1370  2.703785    0.0053  0.000419
   23.8954 3.725812   2  1  1    2   23.8981  3.725396    0.0027  0.000416
   16.1692 5.488097   1  1  1    2   16.1716  5.487274    0.0024  0.000823
   74.1730 1.277851   1  7  3    2   74.1747  1.277825    0.0017  0.000026
   66.4333 1.406727   1  1  7    2   66.4346  1.406703    0.0013  0.000024
   27.3523 3.261710   1  2  2    2   27.3534  3.261583    0.0011  0.000127
   29.8961 2.989413   1  1  3    2   29.8964  2.989384    0.0003  0.000030
   59.6565 1.549374   3  5  2    2   59.6561  1.549384   -0.0004 -0.000010
   28.7057 3.110757   2  2  1    2   28.7052  3.110806   -0.0005 -0.000049
   18.1356 4.896158   0  2  0    2   18.1347  4.896388   -0.0009 -0.000230
   57.6648 1.598090   2  3  5    2   57.6637  1.598117   -0.0011 -0.000027
   47.5824 1.910676   3  0  4    2   47.5811  1.910726   -0.0013 -0.000049
   39.8401 2.262588   1  3  3    2   39.8384  2.262679   -0.0017 -0.000091
   45.0063 2.013950   4  0  2    2   45.0019  2.014135   -0.0044 -0.000185
   30.5415 2.927628   1  3  1    2   30.5362  2.928123   -0.0053 -0.000495
   55.6755 1.650417   1  0  6    2   55.6697  1.650574   -0.0058 -0.000157
   43.8104 2.066153   2  3  3    2   43.8023  2.066515   -0.0081 -0.000363
   65.6596 1.421425   4  2  5    2   65.6474  1.421660   -0.0122 -0.000234

 rmse = 0.00006323661
 
     A =8.7884(6)              B =9.7928(5)               C =10.0829(4)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 867.76(6)