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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060042
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.075
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.5487 4.554620   0  2  2    2   19.5546  4.553247    0.0059  0.001373
   43.1723 2.097208   3  1  4    2   43.1771  2.096987    0.0048  0.000222
   27.0660 3.300735   0  2  4    2   27.0704  3.300208    0.0044  0.000527
   15.3880 5.781534   1  1  1    2   15.3923  5.779909    0.0043  0.001625
   17.1914 5.176222   0  2  1    2   17.1952  5.175089    0.0038  0.001132
   10.7263 8.299207   0  0  2    2   10.7294  8.296797    0.0031  0.002410
   30.6387 2.922546   1  1  5    2   30.6411  2.922326    0.0024  0.000220
   33.8667 2.650379   1  2  5    2   33.8689  2.650212    0.0022  0.000168
   16.0139 5.555877   1  0  2    2   16.0153  5.555382    0.0014  0.000495
   25.9382 3.442055   1  1  4    2   25.9391  3.441934    0.0009  0.000121
   27.8869 3.205145   1  3  1    2   27.8877  3.205058    0.0008  0.000087
   17.9836 4.948989   1  1  2    2   17.9836  4.948987    0.0000  0.000002
   43.6507 2.075286   1  5  1    2   43.6495  2.075342   -0.0012 -0.000056
   21.4787 4.148079   0  0  4    2   21.4770  4.148398   -0.0017 -0.000320
   32.2788 2.777348   2  0  4    2   32.2747  2.777691   -0.0041 -0.000343
   29.0171 3.082501   2  2  0    2   29.0120  3.083029   -0.0051 -0.000528
   35.6280 2.523010   1  1  6    2   35.6223  2.523405   -0.0057 -0.000395
   23.8548 3.738698   2  0  0    2   23.8477  3.739797   -0.0071 -0.001098

 rmse = 0.00002841152
 
     A =7.4796(6)              B =10.8935(7)              C =16.594(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1352.0(1)