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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060681
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.049
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1219 7.984229   0  2  1    2   11.1370  7.973398    0.0151  0.010831
   12.7259 6.977331   0  4  0    2   12.7404  6.969380    0.0145  0.007951
   18.2841 4.861140   0  0  2    2   18.2867  4.860452    0.0026  0.000688
   21.2310 4.191017   0  6  1    2   21.2258  4.192027   -0.0052 -0.001009
   21.7112 4.099183  -1  3  1    2   21.6988  4.101496   -0.0124 -0.002312
   22.3239 3.987793   0  4  2    2   22.3301  3.986699    0.0062  0.001094
   30.4941 2.933673   1  1  2    2   30.4859  2.934446   -0.0082 -0.000773
   34.4023 2.608335   1  5  2    2   34.4056  2.608090    0.0033  0.000245
   35.1384 2.555285   1  9  0    2   35.1503  2.554446    0.0119  0.000839
   52.5399 1.741873   0 16  0    2   52.5246  1.742345   -0.0153 -0.000472
   59.6909 1.548963   0 18  0    2   59.6999  1.548751    0.0090  0.000212

 rmse = 0.00010011615
 
     A =     4.674(4)          B =    27.877(3)           C =    10.060(10)      
 Alpha =    90.             Beta =   104.93(7)        Gamma =    90.             
 
 Volume =   1266(1)