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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060551
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3836 5.113088   0  2  0    2   17.3859  5.112413    0.0023  0.000675
   22.8966 3.889971   0  2  1    2   22.8992  3.889539    0.0026  0.000432
   23.8998 3.728537   1  0  1    2   23.9023  3.728147    0.0025  0.000390
   29.8442 2.996670   0  0  2    2   29.8445  2.996642    0.0003  0.000028
   32.3293 2.771379   1  3  0    2   32.3285  2.771447   -0.0008 -0.000068
   35.7196 2.515319   1  3  1    2   35.7168  2.515512   -0.0028 -0.000192
   36.5267 2.461488   1  1  2    2   36.5252  2.461588   -0.0015 -0.000100
   38.3000 2.351337   0  4  1    2   38.3011  2.351274    0.0011  0.000063
   38.8580 2.318799   2  1  0    2   38.8591  2.318734    0.0011  0.000065
   39.6945 2.271773   1  2  2    2   39.6908  2.271978   -0.0037 -0.000206
   40.0556 2.252093   1  4  0    2   40.0540  2.252182   -0.0016 -0.000089
   41.7822 2.162810   2  1  1    2   41.7879  2.162529    0.0057  0.000281
   48.4614 1.878836   1  5  0    2   48.4568  1.879003   -0.0046 -0.000166
   52.2395 1.751350   2  2  2    2   52.2414  1.751292    0.0019  0.000058
   54.8875 1.672869   2  4  1    2   54.8853  1.672929   -0.0022 -0.000061
   56.1135 1.639154   0  6  1    2   56.1132  1.639162   -0.0003 -0.000008
   56.8090 1.620707   1  3  3    2   56.8128  1.620609    0.0038  0.000099
   58.6515 1.574060   0  4  3    2   58.6512  1.574068   -0.0003 -0.000008
   61.9308 1.498274   0  0  4    2   61.9286  1.498321   -0.0022 -0.000047
   62.7131 1.481436   0  6  2    2   62.7169  1.481355    0.0038  0.000081
   69.4837 1.352583   3  2  2    2   69.4824  1.352606   -0.0013 -0.000022

 rmse = 0.00002935530
 
     A =     4.7615(1)         B =    10.2248(2)          C =     5.9932(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    291.787(10)