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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040093
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.072
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.9907 6.357328   2  1  0    2   14.0007  6.352797    0.0100  0.004531
   20.1166 4.426124   0  2  0    2   20.1292  4.423366    0.0126  0.002757
   26.9840 3.310222   1  2  1    2   26.9761  3.311170   -0.0079 -0.000949
   28.1438 3.176037   4  2  0    2   28.1405  3.176399   -0.0033 -0.000362
   30.3812 2.946486   3  2  1    2   30.3849  2.946138    0.0037  0.000348
   31.1288 2.877241   6  1  0    2   31.1278  2.877335   -0.0010 -0.000094
   33.1057 2.709429   4  2  1    2   33.1047  2.709512   -0.0010 -0.000083
   35.3856 2.539551   1  3  1    2   35.3902  2.539228    0.0046  0.000323
   36.0102 2.496833   2  0  2    2   36.0096  2.496874   -0.0006 -0.000041
   36.3334 2.475316   5  2  1    2   36.3344  2.475254    0.0010  0.000063
   46.3390 1.960631   6  3  1    2   46.3355  1.960770   -0.0035 -0.000139
   51.1122 1.787913  10  1  0    2   51.1100  1.787986   -0.0022 -0.000073
   52.7167 1.737136   2  5  0    2   52.7206  1.737017    0.0039  0.000119
   60.5541 1.529433   6  5  0    2   60.5491  1.529548   -0.0050 -0.000115
   72.2007 1.308460  12  3  1    2   72.2038  1.308411    0.0031  0.000049

 rmse = 0.00004201655
 
     A =    18.2566(8)         B =     8.8467(4)          C =     5.1917(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    838.52(10)