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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060096
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.065
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.9971 5.558251  -1 -1  1    2   16.0043  5.555753    0.0072  0.002498
   22.9681 3.879799  -2  0  1    2   22.9733  3.878925    0.0052  0.000874
   35.2683 2.547272  -1  3  2    2   35.2727  2.546962    0.0044  0.000310
   45.5262 1.993502   1  5  1    2   45.5299  1.993346    0.0037  0.000155
   14.6190 6.081319   0  0  1    2   14.6228  6.079725    0.0038  0.001594
   24.3880 3.656425  -1  3  0    2   24.3920  3.655833    0.0040  0.000592
   28.4527 3.141434  -2  2  0    2   28.4577  3.140892    0.0050  0.000542
   14.1505 6.282525  -1  1  0    2   14.1522  6.281784    0.0017  0.000741
   46.8661 1.939502  -4  0  2    2   46.8671  1.939463    0.0010  0.000040
   14.4231 6.163850   0  2  0    2   14.4230  6.163905   -0.0001 -0.000054
   27.6750 3.228129  -1  1  2    2   27.6744  3.228197   -0.0006 -0.000068
   25.0267 3.564294   1  1  1    2   25.0267  3.564297    0.0000 -0.000003
   31.4902 2.844367   0 -4  1    2   31.4922  2.844191    0.0020  0.000176
   30.2172 2.961493   2  2  0    2   30.2156  2.961649   -0.0016 -0.000156
   40.6282 2.222189  -1 -1  3    2   40.6290  2.222147    0.0008  0.000042
   29.4238 3.039696   0  0  2    2   29.4222  3.039863   -0.0016 -0.000167
   23.7880 3.747529   1 -1  1    2   23.7864  3.747773   -0.0016 -0.000244
   32.2682 2.777403  -2 -2  2    2   32.2626  2.777877   -0.0056 -0.000474
   36.8610 2.440586  -2  4  1    2   36.8535  2.441069   -0.0075 -0.000482
   33.4373 2.682727   1  3  1    2   33.4282  2.683438   -0.0091 -0.000711

 rmse = 0.00003713867
 
     A =7.8437(5)              B =12.377(1)               C =6.8083(5)           
 Alpha =93.284(9)           Beta =116.365(9)          Gamma =92.043(8)           
 
 Volume = 589.85(7)