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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050090
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.038
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.4901 5.729839   0  1  0    2   15.4901  5.729824    0.0000  0.000014
   18.6021 4.775716   1  0  0    2   18.5996  4.776355   -0.0025 -0.000639
   23.6842 3.759536   0  1  1    2   23.6875  3.759016    0.0033  0.000519
   24.2839 3.667886   1  1  0    2   24.2776  3.668825   -0.0063 -0.000939
   31.2304 2.865068   0  2  0    2   31.2321  2.864912    0.0017  0.000156
   47.6029 1.910126   0  3  0    2   47.6078  1.909941    0.0049  0.000185
   48.4273 1.879492   0  2  2    2   48.4269  1.879508   -0.0004 -0.000016
   49.6931 1.834503   2  2  0    2   49.6957  1.834412    0.0026  0.000091
   51.5321 1.773224   1  3  0    2   51.5262  1.773413   -0.0059 -0.000189
   86.7942 1.121539  -3  1  3    2   86.7942  1.121539    0.0000  0.000000

 rmse = 0.00004169767
 
     A =     4.7765(6)         B =     5.7298(3)          C =     4.9808(7)      
 Alpha =    90.             Beta =    89.45(1)        Gamma =    90.             
 
 Volume =    136.31(2)