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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050624
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.0855 5.193377   0  2  0    2   17.0922  5.191360    0.0067  0.002017
   20.6984 4.293154   1  1  0    2   20.6932  4.294214   -0.0052 -0.001060
   22.5834 3.938474   0  2  1    2   22.5810  3.938895   -0.0024 -0.000421
   32.0735 2.790541   1  3  0    2   32.0764  2.790293    0.0029  0.000248
   35.4265 2.533533   1  3  1    2   35.4261  2.533564   -0.0004 -0.000031
   36.3347 2.472217   1  1  2    2   36.3356  2.472159    0.0009  0.000058
   37.7095 2.385122   0  4  1    2   37.7080  2.385212   -0.0015 -0.000090

 rmse = 0.00002505207
 
     A =     4.7165(9)         B =    10.3827(8)          C =     6.0468(8)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    296.11(4)