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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060282
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.003
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.3191 5.428011   0  0  2    2   16.3171  5.428683   -0.0020 -0.000671
   16.9966 5.213109   2  0  1    2   16.9928  5.214270   -0.0038 -0.001161
   18.1960 4.872050  -1  1  1    2   18.1971  4.871761    0.0011  0.000289
   19.2889 4.598360   1  1  1    2   19.2902  4.598051    0.0013  0.000309
   24.5812 3.618913   0  0  3    2   24.5798  3.619122   -0.0014 -0.000209
   28.0161 3.182492   3  1  1    2   28.0152  3.182589   -0.0009 -0.000096
   28.3238 3.148611  -3  1  2    2   28.3327  3.147643    0.0089  0.000968
   29.7967 2.996225   4  0  1    2   29.7897  2.996910   -0.0070 -0.000686
   32.4880 2.753880   3  1  2    2   32.4964  2.753191    0.0084  0.000689
   32.9616 2.715383  -3  1  3    2   32.9584  2.715638   -0.0032 -0.000255
   35.3989 2.533793   0  2  2    2   35.3957  2.534013   -0.0032 -0.000220

 rmse = 0.00004259997
 
     A =13.379(3)              B =5.731(1)                C =11.047(2)           
 Alpha =90                  Beta =100.62(1)           Gamma =90                  
 
 Volume = 832.5(2)