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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050389
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.4182 4.571633   1  1  0    2   19.4207  4.571051    0.0025  0.000582
   25.5097 3.491325   1  1  1    2   25.4968  3.493063   -0.0129 -0.001738
   33.0647 2.708381   0  0  2    2   33.0727  2.707741    0.0080  0.000640
   33.8755 2.645354   0  1  2    2   33.8644  2.646197   -0.0111 -0.000843
   36.5698 2.456305   2  0  0    2   36.5724  2.456137    0.0026  0.000168
   39.6980 2.269571   0  3  2    2   39.6995  2.269487    0.0015  0.000084
   40.9666 2.202140   2  1  1    2   40.9740  2.201759    0.0074  0.000381
   42.9362 2.105529   2  2  1    2   42.9330  2.105680   -0.0032 -0.000151
   46.0355 1.970673   2  3  1    2   46.0477  1.970178    0.0122  0.000496
   47.0736 1.929589   2  4  0    2   47.0621  1.930034   -0.0115 -0.000445
   71.6024 1.317063   2  8  0    2   71.6049  1.317022    0.0025  0.000041
   75.9708 1.251803   3  6  1    2   75.9681  1.251841   -0.0027 -0.000037

 rmse = 0.00008227084
 
     A =     4.9122(5)         B =    12.482(1)           C =     5.4154(9)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    332.06(6)