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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040011
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.028
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.0715 8.799545   0  0  2    2   10.0657  8.804640   -0.0058 -0.005094
   20.1869 4.401200   0  0  4    2   20.1817  4.402320   -0.0052 -0.001120
   30.4595 2.934886   0  0  6    2   30.4596  2.934880    0.0001  0.000006
   36.7492 2.445345  -1  1  5    2   36.7439  2.445688   -0.0053 -0.000343
   39.6600 2.272195   2  0  0    2   39.6637  2.271989    0.0037  0.000206
   49.2164 1.850787  -1  1  8    2   49.2197  1.850670    0.0033  0.000117
   49.6912 1.834199   1  1  8    2   49.6895  1.834258   -0.0017 -0.000059
   51.9021 1.761102   0  0 10    2   51.9076  1.760928    0.0055  0.000174
   53.9566 1.698759  -1  1  9    2   53.9517  1.698903   -0.0049 -0.000144
   67.2135 1.392187   0  3  7    2   67.2147  1.392166    0.0012  0.000021
   88.8300 1.100908   2  2 12    2   88.8291  1.100917   -0.0009 -0.000009

 rmse = 0.00004474084
 
     A =     4.5443(4)         B =     5.0143(3)          C =    17.6107(7)      
 Alpha =    90.             Beta =    90.751(4)       Gamma =    90.             
 
 Volume =    401.26(4)