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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050078
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.8788 6.383920   0  1  1    2   13.8727  6.386699   -0.0061 -0.002780
   17.5955 5.041508   0  2  1    2   17.5896  5.043189   -0.0059 -0.001681
   17.9330 4.947282  -2  0  1    2   17.9246  4.949592   -0.0084 -0.002310
   18.9880 4.674449  -2  1  1    2   18.9853  4.675098   -0.0027 -0.000650
   20.7274 4.285589  -1  0  2    2   20.7330  4.284453    0.0056  0.001136
   22.4930 3.952745   0  3  1    2   22.4902  3.953224   -0.0028 -0.000479
   25.6971 3.466336   0  1  2    2   25.7027  3.465597    0.0056  0.000739
   26.0047 3.425998  -2  3  1    2   26.0090  3.425445    0.0043  0.000553
   40.0490 2.250503   2  4  1    2   40.0575  2.250043    0.0085  0.000460
   40.4920 2.226887   0  5  2    2   40.4946  2.226751    0.0026  0.000136
   49.9000 1.826691   0  5  3    2   49.8909  1.827001   -0.0091 -0.000311
   55.6847 1.649785  -6  0  3    2   55.6818  1.649864   -0.0029 -0.000079
   64.9039 1.435869   1  4  4    2   64.9048  1.435852    0.0009  0.000018
   67.9669 1.378407  -6  4  5    2   67.9689  1.378370    0.0020  0.000036

 rmse = 0.00005050856
 
     A =9.8993(6)              B =14.236(2)               C =8.6726(9)           
 Alpha =90                  Beta =124.513(6)          Gamma =90                  
 
 Volume = 1007.1(0)