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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050450
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.2191 6.707152   1  0  0    2   13.2224  6.705468    0.0033  0.001684
   15.0448 5.895476  -1  1  0    2   15.0373  5.898388   -0.0075 -0.002912
   20.0619 4.428828   1  1  0    2   20.0621  4.428779    0.0002  0.000048
   25.8828 3.443347  -2  1  0    2   25.8832  3.443288    0.0004  0.000059
   26.5923 3.352961   2  0  0    2   26.5941  3.352734    0.0018  0.000227
   46.2594 1.962124  -1  4  0    2   46.2578  1.962188   -0.0016 -0.000063
   64.0790 1.452583  -3  5  0    2   64.0790  1.452582    0.0000  0.000001
   67.1527 1.393338  -1  0  4    2   67.1527  1.393338    0.0000  0.000000
   70.1391 1.341117   5  0  0    2   70.1405  1.341094    0.0014  0.000023
   73.1751 1.292761   5 -2  1    2   73.1751  1.292761    0.0000  0.000000
   76.1626 1.249291   2  5  0    2   76.1636  1.249276    0.0010  0.000014
   82.8742 1.164265   5  2  0    2   82.8726  1.164283   -0.0016 -0.000018
   84.0074 1.151416   3  2  3    2   84.0074  1.151416    0.0000  0.000000

 rmse = 0.00001890628
 
     A =     7.1212(2)         B =     7.8487(1)          C =     5.5733(1)      
 Alpha =    89.933(8)       Beta =   101.157(5)       Gamma =   106.007(3)       
 
 Volume =    293.324(7)