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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060489
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.080
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.1563 6.764930   0  0  2    2   13.1571  6.764536    0.0008  0.000394
   17.5168 5.081768   0  1  2    2   17.5228  5.080026    0.0060  0.001742
   22.4547 3.970175   1  1  0    2   22.4544  3.970219   -0.0003 -0.000044
   26.0767 3.424657   1  1  2    2   26.0815  3.424039    0.0048  0.000617
   26.4141 3.381539   0  0  4    2   26.4083  3.382268   -0.0058 -0.000729
   26.7212 3.343252   0  2  2    2   26.7168  3.343794   -0.0044 -0.000542
   27.6569 3.231901   1  0  3    2   27.6537  3.232274   -0.0032 -0.000372
   28.8842 3.096924   0  1  4    2   28.8906  3.096248    0.0064  0.000677
   32.8326 2.732038   1  0  4    2   32.8306  2.732202   -0.0020 -0.000165
   34.8943 2.574821   1  1  4    2   34.8966  2.574655    0.0023  0.000166
   38.5735 2.336761   1  0  5    2   38.5730  2.336790   -0.0005 -0.000030
   38.9041 2.317620   2  0  0    2   38.9050  2.317570    0.0009  0.000049
   40.5400 2.227606   1  2  4    2   40.5423  2.227487    0.0023  0.000119
   41.7844 2.163968   0  1  6    2   41.7874  2.163818    0.0030  0.000150
   42.4842 2.129861   1  3  2    2   42.4862  2.129767    0.0020  0.000094
   44.7368 2.027515   1  0  6    2   44.7336  2.027651   -0.0032 -0.000136
   50.9519 1.793432   1  2  6    2   50.9436  1.793705   -0.0083 -0.000273
   59.4274 1.555937   1  1  8    2   59.4303  1.555868    0.0029  0.000070
   63.3587 1.468405   1  2  8    2   63.3596  1.468387    0.0009  0.000018

 rmse = 0.00003574311
 
     A =     4.6351(4)         B =     7.6932(8)          C =    13.5290(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    482.43(5)