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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040082
 
 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
   10.4636 8.461735   1  1  0    2   10.4659  8.459840    0.0023  0.001895
   18.0439 4.916899   3  1  0    2   18.0401  4.917937   -0.0038 -0.001038
   18.2260 4.868134   0  2  0    2   18.2275  4.867725    0.0015  0.000409
   19.0197 4.666547   0  0  2    2   19.0205  4.666343    0.0008  0.000204
   21.7461 4.086773   1  1  2    2   21.7504  4.085982    0.0043  0.000791
   28.4746 3.133920   2  2  2    2   28.4742  3.133966   -0.0004 -0.000046
   29.2827 3.049195   5  1  1    2   29.2854  3.048919    0.0027  0.000276
   29.6044 3.016768   1  3  1    2   29.6018  3.017025   -0.0026 -0.000257
   34.0463 2.632449   1  3  2    2   34.0463  2.632452    0.0000 -0.000003
   36.5289 2.458948   6  2  0    2   36.5286  2.458969   -0.0003 -0.000020
   38.5705 2.333299   0  0  4    2   38.5727  2.333172    0.0022  0.000128
   40.2597 2.239166   5  1  3    2   40.2573  2.239297   -0.0024 -0.000130
   41.4954 2.175267   6  2  2    2   41.4926  2.175410   -0.0028 -0.000143
   41.8461 2.157836   0  4  2    2   41.8434  2.157968   -0.0027 -0.000132
   43.2207 2.092310   2  4  2    2   43.2205  2.092319   -0.0002 -0.000009
   49.4384 1.842642   3  5  0    2   49.4424  1.842503    0.0040  0.000139
   50.7672 1.797468   3  3  4    2   50.7619  1.797643   -0.0053 -0.000175
   53.5714 1.709773  10  0  0    2   53.5792  1.709542    0.0078  0.000231
   54.4478 1.684296   0  4  4    2   54.4486  1.684273    0.0008  0.000022
   68.8720 1.362467  12  0  2    2   68.8681  1.362535   -0.0039 -0.000068
   82.6601 1.166599   0  0  8    2   82.6612  1.166586    0.0011  0.000013

 rmse = 0.00003452619
 
     A =    17.0954(5)         B =     9.7354(4)          C =     9.3326(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1553.25(7)