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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050258
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.043
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.9988 5.550086   1  1  0    2   16.0087  5.546676    0.0099  0.003410
   22.6894 3.923213   1  1  1    2   22.6791  3.924981   -0.0103 -0.001768
   25.3073 3.522300   1  2  0    2   25.3099  3.521947    0.0026  0.000352
   25.5188 3.493534   2  1  0    2   25.5134  3.494269   -0.0054 -0.000734
   36.4112 2.468315   3  1  0    2   36.4221  2.467604    0.0109  0.000712
   37.8390 2.378287   0  3  1    2   37.8341  2.378581   -0.0049 -0.000294
   38.2675 2.352605   3  0  1    2   38.2589  2.353112   -0.0086 -0.000507
   39.9818 2.255485   3  1  1    2   39.9888  2.255109    0.0070  0.000377
   45.9673 1.974475   0  4  0    2   45.9773  1.974068    0.0100  0.000407
   46.6341 1.947758   4  0  0    2   46.6209  1.948278   -0.0132 -0.000520
   48.1048 1.891534   4  1  0    2   48.1043  1.891552   -0.0005 -0.000019
   49.0929 1.855715   1  3  2    2   49.0978  1.855540    0.0049  0.000175
   50.9998 1.790655   4  1  1    2   51.0019  1.790585    0.0021  0.000070
   53.4016 1.715576   2  3  2    2   53.4078  1.715392    0.0062  0.000183
   54.6738 1.678593   2  4  1    2   54.6721  1.678642   -0.0017 -0.000049
   57.2496 1.608979   0  4  2    2   57.2469  1.609049   -0.0027 -0.000070
   57.7950 1.595075   4  0  2    2   57.7983  1.594991    0.0033  0.000084
   60.5372 1.529164   5  1  0    2   60.5392  1.529119    0.0020  0.000045
   61.8151 1.500560   5  0  1    2   61.8102  1.500668   -0.0049 -0.000108
   63.5590 1.463496   2  5  0    2   63.5533  1.463614   -0.0057 -0.000117
   73.6965 1.285099   5  2  2    2   73.6900  1.285196   -0.0065 -0.000097
   77.2996 1.233906   6  2  0    2   77.3073  1.233802    0.0077  0.000104

 rmse = 0.00007322354
 
     A =7.7931(3)              B =7.8963(5)               C =5.5549(8)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 341.83(4)