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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061102
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.9337 3.878310   1  1  1    2   22.9343  3.878206    0.0006  0.000105
   28.5945 3.121501   0  0  2    2   28.6005  3.120859    0.0060  0.000642
   31.3696 2.851204   1  0  2    2   31.3757  2.850667    0.0061  0.000536
   31.9654 2.799370   2  1  1    2   31.9698  2.798991    0.0044  0.000379
   36.2926 2.474705   2  2  0    2   36.2914  2.474785   -0.0012 -0.000080
   38.6473 2.329085   0  2  2    2   38.6543  2.328682    0.0070  0.000404
   40.8207 2.209888   1  2  2    2   40.8234  2.209745    0.0027  0.000142
   41.3220 2.184214   0  3  1    2   41.3184  2.184395   -0.0036 -0.000181
   43.3451 2.086787   3  1  1    2   43.3383  2.087100   -0.0068 -0.000312
   45.4611 1.994407   0  1  3    2   45.4651  1.994241    0.0040  0.000166
   46.8397 1.938841   2  2  2    2   46.8330  1.939103   -0.0067 -0.000262
   48.7000 1.869004   3  0  2    2   48.6879  1.869439   -0.0121 -0.000435
   49.1292 1.853669   2  3  1    2   49.1370  1.853394    0.0078  0.000275
   55.7269 1.648732   3  2  2    2   55.7269  1.648731    0.0000  0.000001
   57.7710 1.595140   3  3  1    2   57.7736  1.595074    0.0026  0.000066
   62.2517 1.490612   1  4  2    2   62.2471  1.490710   -0.0046 -0.000098
   71.4273 1.319927   2  2  4    2   71.4259  1.319950   -0.0014 -0.000023
   79.8575 1.200400   5  2  2    2   79.8614  1.200350    0.0039  0.000049

 rmse = 0.00006124381
 
     A =7.0039(4)              B =6.9956(5)               C =6.2417(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 305.82(2)