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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061008
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9392 9.919179   0  0  1    2    8.9433  9.914586    0.0041  0.004594
   17.9093 4.957377   0  0  2    2   17.9096  4.957293    0.0003  0.000085
   26.5781 3.354943   0  2  2    2   26.5772  3.355052   -0.0009 -0.000109
   26.9874 3.304923   0  0  3    2   26.9879  3.304862    0.0005  0.000061
   28.8713 3.093176   1  1  2    2   28.8713  3.093176    0.0000  0.000000
   30.8414 2.899728  -1  1  3    2   30.8414  2.899728    0.0000  0.000000
   33.4963 2.675499   0  2  3    2   33.4970  2.675444    0.0007  0.000055
   45.7497 1.982879   0  0  5    2   45.7488  1.982917   -0.0009 -0.000038
   65.9224 1.416374   0  0  7    2   65.9227  1.416369    0.0003  0.000005

 rmse = 0.00000742175
 
     A =5.2777(4)              B =9.1148(5)               C =10.0934(1)          
 Alpha =90                  Beta =100.800(3)          Gamma =90                  
 
 Volume = 476.95(4)