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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050539
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.020
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.8478 6.398793   0  1  0    2   13.8539  6.395979    0.0061  0.002814
   17.4836 5.073952   0  0  1    2   17.4894  5.072288    0.0058  0.001665
   19.7033 4.506486   0 -1  1    2   19.7125  4.504399    0.0092  0.002087
   25.5684 3.483688  -1  1  1    2   25.5621  3.484529   -0.0063 -0.000840
   27.6204 3.229172   1  0  1    2   27.6191  3.229326   -0.0013 -0.000154
   29.4325 3.034217   0 -2  1    2   29.4290  3.034567   -0.0035 -0.000351
   31.2154 2.864749  -1  2  0    2   31.2212  2.864228    0.0058  0.000521
   31.9406 2.801301  -1 -2  1    2   31.9397  2.801380   -0.0009 -0.000079
   33.3927 2.682656   1  1  1    2   33.3942  2.682540    0.0015  0.000116
   34.0577 2.631751  -2 -1  1    2   34.0585  2.631693    0.0008  0.000058
   34.9633 2.565592   0 -1  2    2   34.9562  2.566095   -0.0071 -0.000504
   43.1779 2.094383   1 -1  2    2   43.1786  2.094351    0.0007  0.000031
   45.7125 1.983926  -2 -2  2    2   45.7113  1.983975   -0.0012 -0.000049
   46.2749 1.961105   1 -3  1    2   46.2738  1.961151   -0.0011 -0.000046
   52.9590 1.728162  -1 -2  3    2   52.9615  1.728086    0.0025  0.000076

 rmse = 0.00003721051
 
     A =     5.8016(9)         B =     6.5683(7)          C =     5.4986(5)      
 Alpha =   102.32(1)        Beta =   108.682(8)       Gamma =    90.357(10)      
 
 Volume =    193.28(3)