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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060215
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.044
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9653 9.903678   0  0  1    2    8.9699  9.898551    0.0046  0.005127
   17.9620 4.946244   0  0  2    2   17.9509  4.949276   -0.0111 -0.003031
   19.8188 4.485803   0  2  0    2   19.8336  4.482484    0.0148  0.003320
   20.6175 4.313427  -1  1  1    2   20.6247  4.311933    0.0072  0.001494
   24.7540 3.599932  -1  1  2    2   24.7732  3.597178    0.0192  0.002754
   27.0479 3.299113   0  0  3    2   27.0445  3.299517   -0.0034 -0.000404
   29.0637 3.074370   1  1  2    2   29.0587  3.074887   -0.0050 -0.000516
   31.1649 2.871422  -1  1  3    2   31.1526  2.872533   -0.0123 -0.001111
   35.1573 2.553547  -1  3  1    2   35.1529  2.553854   -0.0044 -0.000307
   36.3177 2.474477   0  0  4    2   36.3153  2.474638   -0.0024 -0.000161
   45.8347 1.979893   0  0  5    2   45.8392  1.979710    0.0045  0.000183
   68.2002 1.374704   2  2  5    2   68.2004  1.374701    0.0002  0.000003

 rmse = 0.00006891357
 
     A =5.198(2)               B =8.965(3)                C =10.063(1)           
 Alpha =90                  Beta =100.38(2)           Gamma =90                  
 
 Volume = 461.2(0)