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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050117
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.031
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3599 5.113132   0  2  0    2   17.3680  5.110751    0.0081  0.002381
   22.8818 3.888501   0  2  1    2   22.8816  3.888527   -0.0002 -0.000026
   23.8875 3.726804   1  0  1    2   23.8802  3.727927   -0.0073 -0.001123
   32.3068 2.771291   1  3  0    2   32.3119  2.770862    0.0051  0.000429
   35.7014 2.514954   1  3  1    2   35.7008  2.514999   -0.0006 -0.000044
   36.5114 2.460950   1  1  2    2   36.5066  2.461265   -0.0048 -0.000315
   38.2849 2.350837   0  4  1    2   38.2895  2.350566    0.0046  0.000271
   39.6772 2.271429   1  2  2    2   39.6738  2.271615   -0.0034 -0.000186
   40.0373 2.251810   1  4  0    2   40.0408  2.251620    0.0035  0.000190
   41.7709 2.162204   2  1  1    2   41.7655  2.162470   -0.0054 -0.000266
   44.5345 2.034137   1  3  2    2   44.5313  2.034277   -0.0032 -0.000140
   48.4385 1.878813   1  5  0    2   48.4473  1.878490    0.0088  0.000322
   52.2211 1.751189   2  2  2    2   52.2229  1.751134    0.0018  0.000055
   54.8703 1.672690   2  4  1    2   54.8705  1.672684    0.0002  0.000006
   56.8071 1.620141   1  3  3    2   56.8007  1.620309   -0.0064 -0.000169
   61.9104 1.498205   0  0  4    2   61.9168  1.498065    0.0064  0.000141
   62.7176 1.480840   0  6  2    2   62.7134  1.480929   -0.0042 -0.000089
   67.0087 1.396006   1  7  0    2   67.0066  1.396044   -0.0021 -0.000038
   69.7119 1.348311   3  4  0    2   69.7136  1.348282    0.0017  0.000029

 rmse = 0.00005114098
 
     A =     4.7615(3)         B =    10.2215(4)          C =     5.9922(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    291.64(2)