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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050030
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.024
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.5318 6.549658   1  1  0    2   13.5368  6.547241    0.0050  0.002417
   18.6570 4.758073   2  0  0    2   18.6648  4.756092    0.0078  0.001981
   19.6867 4.511164   0  2  0    2   19.6800  4.512690   -0.0067 -0.001525
   27.2416 3.273715   2  2  0    2   27.2424  3.273621    0.0008  0.000094
   30.8062 2.902257  -3  1  1    2   30.7995  2.902871   -0.0067 -0.000615
   34.7042 2.584452  -1  3  1    2   34.7049  2.584404    0.0007  0.000048
   35.1392 2.553426   2  2  1    2   35.1392  2.553425    0.0000  0.000001
   41.3611 2.182331   3  3  0    2   41.3595  2.182414   -0.0016 -0.000083
   42.0613 2.147586  -3  3  1    2   42.0676  2.147279    0.0063  0.000306
   42.6093 2.121209  -4  2  1    2   42.6084  2.121250   -0.0009 -0.000041
   51.5122 1.773396   1  5  0    2   51.5112  1.773427   -0.0010 -0.000031
   56.6249 1.624735  -2  2  3    2   56.6248  1.624737   -0.0001 -0.000002

 rmse = 0.00003468088
 
     A =     9.8416(8)         B =     9.0253(5)          C =     5.2520(3)      
 Alpha =    90.             Beta =   104.86(1)        Gamma =    90.             
 
 Volume =    450.89(5)