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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060665
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.8760 6.891545   0  0  2    2   12.9000  6.878727    0.0240  0.012818
   23.8683 3.731317   1  0  1    2   23.8745  3.730368    0.0062  0.000950
   25.9096 3.441319   0  0  4    2   25.9246  3.439364    0.0150  0.001956
   30.1865 2.962109   0  1  3    2   30.1903  2.961745    0.0038  0.000365
   32.6889 2.740557   1  1  0    2   32.6740  2.741772   -0.0149 -0.001215
   35.2353 2.547883   1  1  2    2   35.2492  2.546910    0.0139  0.000973
   42.1732 2.142978   1  1  4    2   42.1539  2.143916   -0.0193 -0.000938
   46.8868 1.937745   2  0  0    2   46.8859  1.937780   -0.0009 -0.000035
   56.7626 1.621570   2  1  3    2   56.7634  1.621548    0.0008  0.000022
   68.4028 1.371077   2  2  0    2   68.4137  1.370886    0.0109  0.000191
   74.4960 1.273232   2  2  4    2   74.4807  1.273455   -0.0153 -0.000223
   81.8206 1.176710   2  2  6    2   81.8279  1.176624    0.0073  0.000086

 rmse = 0.00013405539
 
     A =3.8756(8)              B =3.879(1)                C =13.757(5)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 206.84(6)