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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040007
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.6321 3.768211   1  1  1    2   23.6328  3.768095    0.0007  0.000116
   25.9622 3.434515   2  0  0    2   25.9611  3.434658   -0.0011 -0.000143
   27.0928 3.293482   0  2  1    2   27.0910  3.293692   -0.0018 -0.000210
   28.1100 3.176395   2  1  0    2   28.1055  3.176892   -0.0045 -0.000497
   30.1067 2.969834   1  2  1    2   30.1056  2.969943   -0.0011 -0.000109
   32.8006 2.731504   2  1  1    2   32.7978  2.731731   -0.0028 -0.000227
   33.5067 2.675467   0  0  2    2   33.5059  2.675526   -0.0008 -0.000059
   34.7561 2.581982   1  3  0    2   34.7581  2.581841    0.0020  0.000141
   40.0145 2.253611   0  2  2    2   40.0201  2.253310    0.0056  0.000301
   40.8671 2.208493   3  1  0    2   40.8689  2.208402    0.0018  0.000091
   42.2108 2.141176   1  2  2    2   42.2131  2.141063    0.0023  0.000113
   46.6676 1.946361   0  4  1    2   46.6655  1.946445   -0.0021 -0.000085
   51.6660 1.769039   3  3  0    2   51.6672  1.769001    0.0012  0.000038
   56.0518 1.640464   0  2  3    2   56.0500  1.640513   -0.0018 -0.000049
   65.5303 1.424094   4  1  2    2   65.5300  1.424100   -0.0003 -0.000006

 rmse = 0.00002389695
 
     A =     6.8693(1)         B =     8.3583(3)          C =     5.3510(1)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    307.23(1)