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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060364
 
 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
   12.3055 7.208918   0  0  1    2   12.3129  7.204593    0.0074  0.004325
   24.7334 3.602052   0  0  2    2   24.7317  3.602296   -0.0017 -0.000245
   31.0938 2.877308   4  4  0    2   31.0966  2.877053    0.0028  0.000255
   35.0956 2.557489   4  4  1    2   35.0960  2.557462    0.0004  0.000027
   37.3277 2.409369  -4  4  2    2   37.3253  2.409515   -0.0024 -0.000147
   42.7521 2.115111   4  4  2    2   42.7494  2.115236   -0.0027 -0.000125
   45.8897 1.977408  -4  4  3    2   45.8907  1.977369    0.0010  0.000039
   52.7891 1.733875   4  4  3    2   52.7902  1.733842    0.0011  0.000033
   54.7622 1.675932   0  8  0    2   54.7622  1.675932    0.0000  0.000000

 rmse = 0.00002244693
 
     A =23.221(6)              B =13.4075(4)              C =7.4588(4)           
 Alpha =90                  Beta =105.002(6)          Gamma =90                  
 
 Volume = 2243.1(5)