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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070204
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.008
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.6525 9.162862   0  2  0    2    9.6575  9.158117    0.0050  0.004745
   10.6264 8.324554   1  1  0    2   10.6291  8.322427    0.0027  0.002127
   19.3784 4.578588   0  4  0    2   19.3764  4.579059   -0.0020 -0.000470
   21.3429 4.161228   2  2  0    2   21.3430  4.161213    0.0001  0.000014
   26.1779 3.402359   1  3  1    2   26.1779  3.402359    0.0000  0.000000
   27.2575 3.269962   2  4  0    2   27.2572  3.269996   -0.0003 -0.000034
   29.0691 3.070110   3  1  0    2   29.0690  3.070118   -0.0001 -0.000008
   32.2496 2.774147   3  3  0    2   32.2497  2.774142    0.0001  0.000004
   56.0617 1.639294  -4  6  2    2   56.0617  1.639294    0.0000  0.000000
   60.6247 1.526354   0 12  0    2   60.6248  1.526353    0.0001  0.000002

 rmse = 0.00000716473
 
     A =9.5750(2)              B =18.3162(2)              C =5.1990(3)           
 Alpha =90                  Beta =102.650(3)          Gamma =90                  
 
 Volume = 889.66(5)