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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040047
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.5442 9.299032   0  0  2    2    9.5522  9.291217    0.0080  0.007814
   16.8739 5.262720   0  1  1    2   16.8698  5.263997   -0.0041 -0.001277
   19.1081 4.650792   1  0  0    2   19.1127  4.649691    0.0046  0.001101
   21.3935 4.157887   1  0  2    2   21.3925  4.158079   -0.0010 -0.000192
   25.1158 3.548449   1  1  0    2   25.1203  3.547822    0.0045  0.000627
   25.5828 3.484619   1  1  1    2   25.5809  3.484876   -0.0019 -0.000257
   31.7599 2.818682   1  1  4    2   31.7491  2.819617   -0.0108 -0.000935
   34.0747 2.632076   0  2  2    2   34.0757  2.631998    0.0010  0.000078
   34.9694 2.566676   1  1  5    2   34.9755  2.566245    0.0061  0.000431

 rmse = 0.00004429339
 
     A =     4.649(1)          B =     5.4888(9)          C =    18.582(6)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    474.2(1)