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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 file_id=7980[1]
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.083
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   34.5731 2.598252   0  2  0    2   34.5736  2.598217    0.0005  0.000034
   37.4073 2.407208   0  0  2    2   37.4160  2.406666    0.0087  0.000542
   39.4595 2.286349   0  2  1    2   39.4589  2.286381   -0.0006 -0.000031
   51.8194 1.765467   0  2  2    2   51.8149  1.765609   -0.0045 -0.000142
   61.8976 1.499615   1  3  0    2   61.8875  1.499837   -0.0101 -0.000222
   68.7783 1.365227   0  2  3    2   68.7834  1.365137    0.0051  0.000090
   74.5526 1.273014   1  3  2    2   74.5613  1.272887    0.0087  0.000127
   75.9032 1.253659   2  2  1    2   75.9034  1.253657    0.0002  0.000002
   79.6900 1.203266   0  0  4    2   79.6847  1.203333   -0.0053 -0.000067

 rmse = 0.00009306038
 
     A =2.9982(3)              B =5.1964(5)               C =4.8133(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 74.992(8)