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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040054
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.021
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.9213 6.365597   1  1  0    2   13.9200  6.366180   -0.0013 -0.000584
   20.1725 4.402834   0  2  0    2   20.1850  4.400128    0.0125  0.002706
   28.0391 3.181976   2  2  0    2   28.0291  3.183090   -0.0100 -0.001114
   29.9271 2.985255  -2  2  1    2   29.9314  2.984831    0.0043  0.000424
   30.8109 2.901550   3  1  0    2   30.8094  2.901691   -0.0015 -0.000141
   36.2838 2.475209   2  2  1    2   36.2805  2.475425   -0.0033 -0.000216
   42.6645 2.118450  -3  3  1    2   42.6697  2.118203    0.0052  0.000247
   43.1723 2.094689  -4  2  1    2   43.1723  2.094689    0.0000  0.000001
   52.9421 1.728705   1  5  0    2   52.9377  1.728838   -0.0044 -0.000132
   57.1758 1.610299  -5  3  1    2   57.1713  1.610415   -0.0045 -0.000116
   57.9059 1.591714   4  4  0    2   57.9126  1.591545    0.0067  0.000169

 rmse = 0.00006113388
 
     A =     9.657(1)        B =     8.8002(8)          C =     5.302(3)       
 Alpha =    90.             Beta =   107.29(2)        Gamma =    90.             
 
 Volume =    430.2(2)