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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 test4
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  0.710710
 Wavelength #2 =  0.709270
 Wavelength #3 =  0.713590
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.147
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.7799 4.098707   1  1  0    2    9.7829  4.097473    0.0030  0.001234
   15.2809 2.641979   1  3  0    2   15.2739  2.643171   -0.0070 -0.001193
   15.9204 2.537477   0  2  1    2   15.9119  2.538814   -0.0085 -0.001337
   16.8173 2.404229   1  1  1    2   16.8133  2.404793   -0.0040 -0.000563
   18.8289 2.151343   1  4  0    2   18.8378  2.150345    0.0089  0.000998
   21.4986 1.888611   0  4  1    2   21.5044  1.888114    0.0058  0.000497
   24.1258 1.686786   2  2  1    2   24.1308  1.686446    0.0050  0.000340
   26.5491 1.536087   1  5  1    2   26.5438  1.536385   -0.0053 -0.000298
   29.2803 1.396247   1  1  2    2   29.2816  1.396188    0.0013  0.000059
   31.6652 1.293982   3  2  1    2   31.6638  1.294039   -0.0014 -0.000057

 rmse = 0.00015356260
 
     A =4.5122(8)              B =9.784(2)                C =2.9701(5)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 131.12(3)