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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050160
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.3008 7.841146   1  0  0    2   11.3043  7.838743    0.0035  0.002404
   12.8041 6.921868   0  0  1    2   12.8107  6.918315    0.0066  0.003552
   13.1210 6.755066  -1  0  1    2   13.1241  6.753483    0.0031  0.001583
   20.3422 4.367460   1  0  1    2   20.3391  4.368121   -0.0031 -0.000661
   20.9444 4.243072  -2  0  1    2   20.9372  4.244515   -0.0072 -0.001443
   21.2229 4.187949  -1  1  0    2   21.2229  4.187949    0.0000  0.000000
   22.2560 3.995605  -1 -1  1    2   22.2560  3.995605    0.0000  0.000000
   22.6917 3.919775   2  0  0    2   22.6941  3.919371    0.0024  0.000404
   23.4351 3.796952  -1  0  2    2   23.4349  3.796992   -0.0002 -0.000040
   25.7590 3.459087   0  0  2    2   25.7585  3.459158   -0.0005 -0.000071
   26.3934 3.377284  -2  0  2    2   26.3977  3.376742    0.0043  0.000542
   30.5084 2.930093   2  0  1    2   30.5083  2.930106   -0.0001 -0.000012
   31.1927 2.867303  -3  0  1    2   31.1931  2.867263    0.0004  0.000039
   44.1529 2.050604  -3  1  3    2   44.1529  2.050604    0.0000  0.000000
   46.7992 1.940566  -4  0  3    2   46.7968  1.940661   -0.0024 -0.000095
   55.5969 1.652379  -5  0  3    2   55.5980  1.652349    0.0011  0.000030
   69.5656 1.350699  -5  0  5    2   69.5657  1.350697    0.0001  0.000002

 rmse = 0.00001952964
 
     A =8.6084(3)              B =4.960(1)                C =7.5976(3)           
 Alpha =89.89(1)            Beta =114.412(4)          Gamma =89.96(2)            
 
 Volume = 295.37(6)