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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050403
 
 Symmetry constraint is: RHOMBOHEDRAL
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.002
  
 Number of iterations =  12

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.2640 2.858490   2  2  2    2   31.2599  2.858858   -0.0041 -0.000368
   34.5761 2.591888   1  0  0    2   34.5719  2.592192   -0.0042 -0.000304
   35.7741 2.507793   1  1  0    2   35.7753  2.507711    0.0012  0.000082
   40.2728 2.237436   2  1  1    2   40.2777  2.237176    0.0049  0.000260
   61.1633 1.513983   0 -1  1    2   61.1630  1.513990   -0.0003 -0.000007

 rmse = 0.00003873954
 
     A =5.979(1)               B =5.979(1)                C =5.979(1)            
 Alpha =29.336(5)           Beta =29.336(5)           Gamma =29.336(5)           
 
 Volume = 45.4(1)