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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060025
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.000
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1789 7.908456   1  1  0    2   11.1773  7.909599   -0.0016 -0.001143
   13.1753 6.714265   0  2  0    2   13.1798  6.711997    0.0045  0.002268
   18.1037 4.896012   2  0  0    2   18.1086  4.894691    0.0049  0.001322
   19.5910 4.527546   0  0  1    2   19.5904  4.527690   -0.0006 -0.000144
   21.8243 4.069023   1  3  0    2   21.8208  4.069669   -0.0035 -0.000647
   23.0623 3.853318  -2  0  1    2   23.0618  3.853407   -0.0005 -0.000089
   27.8434 3.201558  -1  3  1    2   27.8449  3.201386    0.0015  0.000172
   33.9765 2.636363   3  3  0    2   33.9742  2.636533   -0.0023 -0.000170
   38.8448 2.316426  -1  5  1    2   38.8443  2.316453   -0.0005 -0.000026
   43.6192 2.073304   3  5  0    2   43.6204  2.073251    0.0012  0.000053

 rmse = 0.00001709327
 
     A =10.129(1)              B =13.4240(8)              C =4.6848(6)           
 Alpha =90                  Beta =104.88(1)           Gamma =90                  
 
 Volume = 615.64(8)