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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060015
 
 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
    6.584513.359985   0  2  0    2    6.5883 13.352386    0.0038  0.007600
   12.0770 7.306598   1  0  0    2   12.0791  7.305335    0.0021  0.001262
   12.6159 6.996317   1  1  0    2   12.6155  6.996518   -0.0004 -0.000200
   13.9459 6.333180   1  2  0    2   13.9435  6.334242   -0.0024 -0.001062
   17.7700 4.979958  -1  1  1    2   17.7701  4.979918    0.0001  0.000040
   19.0016 4.660307  -1 -2  1    2   19.0020  4.660220    0.0004  0.000087
   19.8023 4.473886   0  4  1    2   19.8016  4.474035   -0.0007 -0.000149
   25.0467 3.548713  -2  2  0    2   25.0467  3.548716    0.0000 -0.000003
   28.8253 3.091961  -1  7  1    2   28.8253  3.091966    0.0000 -0.000005
   34.1041 2.624846   1  8  1    2   34.1043  2.624830    0.0002  0.000016
   75.8329 1.253119  -1-19  2    2   75.8329  1.253119    0.0000  0.000000

 rmse = 0.00000585876
 
     A =7.4130(4)              B =26.7219(8)              C =6.0210(7)           
 Alpha =88.728(3)           Beta =99.643(9)           Gamma =91.802(5)           
 
 Volume = 1175.1(0)