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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040139
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.4483 6.587389   2  6  0    2   13.4466  6.588210   -0.0017 -0.000821
   14.4598 6.128202   1  1  1    2   14.4557  6.129917   -0.0041 -0.001715
   15.1233 5.860479   1  3  1    2   15.1216  5.861143   -0.0017 -0.000664
   18.8173 4.716412   0 12  0    2   18.8144  4.717136   -0.0029 -0.000724
   19.2827 4.603509   4  0  0    2   19.2885  4.602129    0.0058  0.001380
   20.3855 4.356672   3  3  1    2   20.3917  4.355359    0.0062  0.001313
   21.1690 4.197022   2 12  0    2   21.1643  4.197945   -0.0047 -0.000922
   21.4841 4.136121   4  6  0    2   21.4835  4.136241   -0.0006 -0.000120
   27.7225 3.217302   1 15  1    2   27.7097  3.218762   -0.0128 -0.001460
   28.2029 3.163546   5  3  1    2   28.2047  3.163347    0.0018  0.000200
   30.4963 2.930520   2  6  2    2   30.4958  2.930572   -0.0005 -0.000051
   30.9825 2.885605   3 15  1    2   30.9869  2.885204    0.0044  0.000401
   31.2743 2.859328   5  9  1    2   31.2861  2.858275    0.0118  0.001053
   36.3598 2.470023   1 21  1    2   36.3627  2.469831    0.0029  0.000192
   37.1460 2.419505   7  3  1    2   37.1383  2.419986   -0.0077 -0.000481

 rmse = 0.00004590177
 
     A =    18.408(2)          B =    56.605(8)           C =     6.544(2)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   6819(1)