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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040152
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.1257 5.185837   2  0  0    2   17.1297  5.184646    0.0040  0.001191
   18.0784 4.914013  -2  0  1    2   18.0810  4.913312    0.0026  0.000701
   19.3985 4.581763   0  0  2    2   19.4043  4.580414    0.0058  0.001349
   21.2001 4.195530   2  0  1    2   21.2003  4.195490    0.0002  0.000040
   22.4515 3.963994  -1  1  1    2   22.4538  3.963598    0.0023  0.000397
   23.7905 3.743442   1  1  1    2   23.7882  3.743796   -0.0023 -0.000354
   29.2642 3.053514   0  0  3    2   29.2633  3.053609   -0.0009 -0.000095
   29.7798 3.001736   1  1  2    2   29.7742  3.002288   -0.0056 -0.000552
   37.5671 2.394777   1  1  3    2   37.5670  2.394781   -0.0001 -0.000004
   40.0368 2.252408  -2  0  4    2   40.0341  2.252555   -0.0027 -0.000147
   43.4837 2.081343  -1  1  4    2   43.4849  2.081289    0.0012  0.000054
   44.0818 2.054455   0  1  4    2   44.0835  2.054381    0.0017  0.000073
   56.9185 1.617508  -2  2  4    2   56.9188  1.617501    0.0003  0.000007

 rmse = 0.00002206919
 
     A =    10.546(2)          B =     4.6482(3)          C =     9.3176(4)      
 Alpha =    90.             Beta =   100.527(6)       Gamma =    90.             
 
 Volume =    449.09(7)