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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040115
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.9557 5.559081   0  2  0    2   15.9699  5.554155    0.0142  0.004926
   23.0906 3.852995   1  0  1    2   23.0947  3.852315    0.0041  0.000681
   28.1926 3.165589   1  2  1    2   28.1940  3.165440    0.0014  0.000149
   30.4284 2.937688   1  3  0    2   30.4196  2.938517   -0.0088 -0.000829
   33.5640 2.669850   1  3  1    2   33.5678  2.669556    0.0038  0.000294
   34.6305 2.589967   1  1  2    2   34.6239  2.590447   -0.0066 -0.000479
   35.2330 2.547012   0  4  1    2   35.2364  2.546775    0.0034  0.000237
   50.1098 1.819798   2  2  2    2   50.1088  1.819831   -0.0010 -0.000032
   51.3692 1.778079   0  6  1    2   51.3657  1.778193   -0.0035 -0.000114
   52.1809 1.752299   2  4  1    2   52.1803  1.752319   -0.0006 -0.000019
   53.0896 1.724413   1  3  3    2   53.0997  1.724108    0.0101  0.000304
   54.2788 1.689389   0  4  3    2   54.2693  1.689663   -0.0095 -0.000274
   57.5129 1.601796   0  6  2    2   57.5164  1.601708    0.0035  0.000088
   61.4773 1.507620   1  7  0    2   61.4780  1.507603    0.0007  0.000016

 rmse = 0.00006308713
 
     A =     4.8295(6)         B =    11.1083(6)          C =     6.3872(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    342.66(4)