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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060746
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.2684 9.568095   1  1  0    2    9.2805  9.555616    0.0121  0.012479
   11.4901 7.717173  -1  1  1    2   11.4967  7.712744    0.0066  0.004429
   15.2938 5.801156   1  1  1    2   15.2987  5.799298    0.0049  0.001857
   18.4495 4.813605  -2  2  1    2   18.4595  4.811020    0.0100  0.002584
   19.7305 4.503351   0  0  2    2   19.7249  4.504613   -0.0056 -0.001262
   23.2080 3.834866  -1  3  1    2   23.2188  3.833105    0.0108  0.001761
   25.3529 3.514655   1  3  1    2   25.3578  3.513985    0.0049  0.000671
   26.9729 3.306868  -3  3  1    2   26.9811  3.305876    0.0082  0.000992
   28.0202 3.185456  -1  3  2    2   28.0217  3.185284    0.0015  0.000172
   28.8980 3.090549  -5  1  2    2   28.8997  3.090373    0.0017  0.000176
   29.5057 3.028192  -3  3  2    2   29.5093  3.027833    0.0036  0.000359
   30.4435 2.936910  -2  2  3    2   30.4415  2.937100   -0.0020 -0.000190
   30.8478 2.899292   2  2  2    2   30.8439  2.899649   -0.0039 -0.000357
   30.9879 2.886488   5  1  0    2   30.9905  2.886249    0.0026  0.000239
   31.5661 2.834867   1  3  2    2   31.5628  2.835160   -0.0033 -0.000293
   32.3160 2.770707   3  3  1    2   32.3171  2.770618    0.0011  0.000089
   32.7909 2.731615  -5  1  3    2   32.7889  2.731774   -0.0020 -0.000159
   35.1826 2.551030  -1  3  3    2   35.1871  2.550712    0.0045  0.000318
   36.2575 2.477759  -6  2  1    2   36.2490  2.478323   -0.0085 -0.000563
   37.3973 2.404751  -4  4  2    2   37.3851  2.405510   -0.0122 -0.000759
   37.6650 2.388258   4  4  0    2   37.6544  2.388904   -0.0106 -0.000646
   40.7797 2.212596  -7  1  3    2   40.7856  2.212290    0.0059  0.000306
   41.7215 2.164761   0  4  3    2   41.7207  2.164803   -0.0008 -0.000042
   44.0641 2.054868  -8  0  2    2   44.0617  2.054974   -0.0024 -0.000106
   56.9589 1.616238   7  5  0    2   56.9644  1.616095    0.0055  0.000143

 rmse = 0.00004976310
 
     A =16.444(1)              B =12.494(2)               C =9.988(1)            
 Alpha =90                  Beta =115.577(9)          Gamma =90                  
 
 Volume = 1850.9(0)