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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040040
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.5114 4.556531   1  1  0    2   19.5078  4.557362   -0.0036 -0.000832
   19.9949 4.447171   0  2  0    2   19.9982  4.446447    0.0033  0.000724
   23.9709 3.716342   1  1  1    2   23.9659  3.717112   -0.0050 -0.000770
   24.3806 3.654693   0  2  1    2   24.3705  3.656190   -0.0101 -0.001498
   27.7929 3.212500   0  0  2    2   27.7948  3.212290    0.0019  0.000210
   34.1682 2.625456   1  1  2    2   34.1662  2.625605   -0.0020 -0.000149
   34.6698 2.588560   1  3  0    2   34.6778  2.587981    0.0080  0.000580
   39.5661 2.278400   2  2  0    2   39.5610  2.278681   -0.0051 -0.000282
   42.0827 2.147634   2  2  1    2   42.0834  2.147599    0.0007  0.000035
   43.0609 2.101032   0  4  1    2   43.0620  2.100983    0.0011  0.000049
   44.2831 2.045778   2  0  2    2   44.2815  2.045847   -0.0016 -0.000069
   44.9869 2.015361   1  3  2    2   44.9882  2.015307    0.0013  0.000054
   49.0149 1.858587   2  2  2    2   49.0158  1.858556    0.0009  0.000031
   54.7983 1.675149   3  1  1    2   54.8010  1.675074    0.0027  0.000075
   56.4026 1.631208   1  5  1    2   56.4051  1.631142    0.0025  0.000066
   73.1134 1.293951   2  6  0    2   73.1108  1.293990   -0.0026 -0.000039

 rmse = 0.00003547077
 
     A =     5.3072(2)         B =     8.8928(3)          C =     6.4245(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    303.22(2)