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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060471
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.064
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.5057 8.464778   1  1  0    2   10.5151  8.457182    0.0094  0.007596
   18.2526 4.873247  -1  1  1    2   18.2590  4.871540    0.0064  0.001707
   19.8197 4.490083   0  4  0    2   19.8164  4.490820   -0.0033 -0.000737
   22.2288 4.007208   1  1  1    2   22.2240  4.008058   -0.0048 -0.000851
   26.3324 3.389785   1  3  1    2   26.3345  3.389512    0.0021  0.000273
   27.2522 3.277159   2  4  0    2   27.2525  3.277122    0.0003  0.000037
   28.4092 3.145968   3  1  0    2   28.4092  3.145967    0.0000  0.000001
   30.2382 2.959314   2  2  1    2   30.2465  2.958519    0.0083  0.000795
   31.7795 2.818927   3  3  0    2   31.7780  2.819061   -0.0015 -0.000133
   32.8042 2.733004  -3  3  1    2   32.8036  2.733052   -0.0006 -0.000048
   33.1488 2.705322   1  5  1    2   33.1477  2.705410   -0.0011 -0.000088
   34.7582 2.583423   0  6  1    2   34.7515  2.583905   -0.0067 -0.000481
   35.5048 2.530693  -2  0  2    2   35.5061  2.530605    0.0013  0.000088
   39.3924 2.289028  -1  7  1    2   39.3966  2.288792    0.0042  0.000235
   41.7556 2.164578   2  6  1    2   41.7545  2.164632   -0.0011 -0.000054
   44.0677 2.056058   2  0  2    2   44.0722  2.055858    0.0045  0.000200
   47.7344 1.906115   5  1  0    2   47.7273  1.906384   -0.0071 -0.000269
   55.4587 1.657216   4  6  1    2   55.4587  1.657217    0.0000  0.000000
   58.5431 1.576942  -1  5  3    2   58.5404  1.577009   -0.0027 -0.000068
   64.6580 1.441634  -6  6  1    2   64.6614  1.441567    0.0034  0.000067

 rmse = 0.00003784772
 
     A =     9.8914(4)         B =    17.963(1)           C =     5.2786(3)      
 Alpha =    90.             Beta =   104.274(5)       Gamma =    90.             
 
 Volume =    908.96(6)