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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061118
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.005
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    6.507513.561741   1  1  0    2    6.5093 13.557958    0.0018  0.003783
    8.623810.239593   0  2  0    2    8.6194 10.244841   -0.0044 -0.005248
    9.7706 9.040732   2  0  0    2    9.7699  9.041394   -0.0007 -0.000661
   13.4523 6.574396   1  1  1    2   13.4466  6.577151   -0.0057 -0.002754
   13.8492 6.386925   1  3  0    2   13.8439  6.389337   -0.0053 -0.002412
   14.5931 6.063076   0  2  1    2   14.5935  6.062923    0.0004  0.000154
   15.3073 5.781842   3  1  0    2   15.3054  5.782574   -0.0019 -0.000732
   19.3435 4.583838   3  1  1    2   19.3414  4.584339   -0.0021 -0.000501
   19.6233 4.519121   3  3  0    2   19.6224  4.519319   -0.0009 -0.000198
   21.4634 4.135747   4  2  0    2   21.4624  4.135930   -0.0010 -0.000183
   22.2240 3.995922   1  5  0    2   22.2202  3.996595   -0.0038 -0.000672
   23.1675 3.835310   2  4  1    2   23.1740  3.834253    0.0065  0.001057
   23.6381 3.760024   0  0  2    2   23.6336  3.760731   -0.0045 -0.000707
   24.9805 3.560963   5  1  0    2   24.9766  3.561505   -0.0039 -0.000542
   25.1978 3.530750   0  2  2    2   25.2005  3.530383    0.0027  0.000367
   25.6299 3.472206   2  0  2    2   25.6290  3.472332   -0.0009 -0.000126
   26.2682 3.389278   3  5  0    2   26.2711  3.388909    0.0029  0.000370
   27.6970 3.217625   5  1  1    2   27.6860  3.218881   -0.0110 -0.001256
   27.8761 3.197361   5  3  0    2   27.8871  3.196128    0.0110  0.001233
   30.3627 2.940973   2  6  1    2   30.3685  2.940427    0.0058  0.000546
   35.0004 2.561223   0  8  0    2   35.0006  2.561210    0.0002  0.000013
   35.6218 2.517961   3  5  2    2   35.6280  2.517541    0.0062  0.000421
   44.1585 2.049024   0 10  0    2   44.1598  2.048968    0.0013  0.000056
   46.4952 1.951352   6  8  0    2   46.4876  1.951652   -0.0076 -0.000300
   48.3611 1.880340   0  0  4    2   48.3604  1.880366   -0.0007 -0.000026
   50.4176 1.808365  10  0  0    2   50.4202  1.808279    0.0026  0.000086

 rmse = 0.00003516058
 
     A =18.0828(9)             B =20.490(1)               C =7.5215(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 2786.8(2)