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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060487
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.1929 4.007396   1  0  1    2   22.1786  4.009959   -0.0143 -0.002563
   26.0722 3.418603   2  0  1    2   26.0677  3.419185   -0.0045 -0.000582
   27.0965 3.291516   2  1  0    2   27.1091  3.290019    0.0126  0.001497
   30.3977 2.940817   0  1  1    2   30.4024  2.940371    0.0047  0.000446
   42.9284 2.106399   1  0  2    2   42.9315  2.106255    0.0031  0.000144
   44.3984 2.039964   4  1  1    2   44.3868  2.040469   -0.0116 -0.000506
   45.2282 2.004422   5  0  1    2   45.2348  2.004143    0.0066  0.000279

 rmse = 0.00009409034
 
     A =    11.335(3)          B =     4.040(2)           C =     4.2871(9)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    196.35(9)