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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050435
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.2848 4.856360   1  1  0    2   18.2741  4.859197   -0.0107 -0.002837
   27.7696 3.213531   0  2  0    2   27.7753  3.212880    0.0057  0.000652
   29.0234 3.077343   0  0  2    2   29.0264  3.077035    0.0030  0.000308
   31.4130 2.848244   0  2  1    2   31.4146  2.848099    0.0016  0.000145
   40.5898 2.222455   0  2  2    2   40.5934  2.222265    0.0036  0.000190
   49.0920 1.855341   2  3  0    2   49.0917  1.855353   -0.0003 -0.000012
   52.9369 1.729201   2  1  3    2   52.9332  1.729313   -0.0037 -0.000112
   58.0335 1.588795   2  3  2    2   58.0306  1.588868   -0.0029 -0.000073
   75.0339 1.265298   4  2  3    2   75.0356  1.265274    0.0017  0.000024
   84.1939 1.149365   0  2  5    2   84.1941  1.149362    0.0002  0.000003

 rmse = 0.00003701506
 
     A =7.4262(5)              B =6.4258(4)               C =6.1541(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 293.66(2)