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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060419
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.093
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.3741 5.439883   0  0  2    2   16.3788  5.438325    0.0047  0.001558
   18.2347 4.885938  -1  1  1    2   18.2475  4.882531    0.0128  0.003406
   19.3495 4.605516   1  1  1    2   19.3406  4.607615   -0.0089 -0.002100
   24.6269 3.625470   0  0  3    2   24.6264  3.625550   -0.0005 -0.000080
   28.0689 3.186734   3  1  1    2   28.0648  3.187194   -0.0041 -0.000460
   28.3796 3.152433  -3  1  2    2   28.3765  3.152772   -0.0031 -0.000339
   29.8471 3.000206   4  0  1    2   29.8521  2.999714    0.0050  0.000492
   31.2016 2.872591   0  2  0    2   31.2031  2.872457    0.0015  0.000134
   32.5414 2.756973   3  1  2    2   32.5377  2.757281   -0.0037 -0.000307
   41.6090 2.173364  -4  2  1    2   41.6093  2.173351    0.0003  0.000014
   45.2476 2.006323   3  1  4    2   45.2484  2.006290    0.0008  0.000033

 rmse = 0.00003648012
 
     A =    13.391(2)          B =     5.7449(7)          C =    11.066(2)       
 Alpha =    90.             Beta =   100.63(1)        Gamma =    90.             
 
 Volume =    836.7(2)