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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060852
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.8277 6.917363   1  0  1    2   12.8141  6.924709   -0.0136 -0.007345
   17.7797 4.995889   2  0  0    2   17.8001  4.990200    0.0204  0.005689
   18.2261 4.874246   0  0  2    2   18.2243  4.874735   -0.0018 -0.000488
   28.4753 3.136341   3  0  1    2   28.4892  3.134844    0.0139  0.001497
   28.8027 3.101379  -1  0  3    2   28.7850  3.103247   -0.0177 -0.001867
   41.5481 2.173786   3  1  0    2   41.5310  2.174642   -0.0171 -0.000856
   41.9675 2.153005   0  1  3    2   41.9736  2.152708    0.0061  0.000297
   49.1354 1.854116  -4  1  1    2   49.1523  1.853518    0.0169  0.000598
   55.2215 1.663149   6  0  0    2   55.2125  1.663400   -0.0090 -0.000251
   59.7047 1.548437   5  1  2    2   59.7079  1.548361    0.0032  0.000075
   64.8827 1.436730   0  2  0    2   64.8802  1.436780   -0.0025 -0.000050
   68.5894 1.367796  -5  1  4    2   68.5904  1.367778    0.0010  0.000018

 rmse = 0.00012088760
 
     A =9.981(1)               B =2.8736(3)               C =9.750(4)            
 Alpha =90                  Beta =90.82(2)            Gamma =90                  
 
 Volume = 279.6(1)