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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050004
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.7962 4.994445   0  0  2    2   17.8163  4.988838    0.0201  0.005607
   19.1789 4.636393   1  1  1    2   19.1819  4.635678    0.0030  0.000714
   24.6744 3.612617   1  1  2    2   24.6819  3.611527    0.0075  0.001090
   34.2936 2.616571   2  2  0    2   34.2811  2.617495   -0.0125 -0.000924
   36.0155 2.495141   0  0  4    2   36.0263  2.494419    0.0108  0.000722
   36.3518 2.472793   2  0  3    2   36.3518  2.472793    0.0000  0.000000
   38.8814 2.317321   2  2  2    2   38.8724  2.317839   -0.0090 -0.000518
   40.0624 2.251600   1  1  4    2   40.0578  2.251851   -0.0046 -0.000250
   55.2450 1.662811   0  0  6    2   55.2401  1.662946   -0.0049 -0.000135
   55.8105 1.647279   3  3  2    2   55.8155  1.647143    0.0050  0.000136
   66.6149 1.403699   2  2  6    2   66.6188  1.403627    0.0039  0.000072
   72.1626 1.308745   4  4  0    2   72.1625  1.308748   -0.0001 -0.000002
   76.3360 1.247194   0  0  8    2   76.3349  1.247210   -0.0011 -0.000015

 rmse = 0.00006983628
 
     A =7.395(4)               B =7.411(4)                C =9.9777(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 546.88(6)