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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050124
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.010
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.9728 4.934164   0  1  1    2   17.9749  4.933593    0.0021  0.000572
   27.4766 3.244645  -2  1  1    2   27.4881  3.243311    0.0115  0.001333
   29.8138 2.995305   0  0  2    2   29.8141  2.995276    0.0003  0.000028
   31.4228 2.845453  -2  0  2    2   31.4224  2.845485   -0.0004 -0.000033
   34.3396 2.610068   0  3  1    2   34.3448  2.609686    0.0052  0.000382
   34.5822 2.592306   2  2  0    2   34.5804  2.592438   -0.0018 -0.000132
   38.0473 2.363739   2  1  1    2   38.0431  2.363992   -0.0042 -0.000252
   39.4362 2.283610   1  3  1    2   39.4386  2.283478    0.0024  0.000132
   39.6759 2.270360  -3  1  1    2   39.6750  2.270411   -0.0009 -0.000051
   40.3942 2.231619  -2  3  1    2   40.3959  2.231530    0.0017  0.000090
   43.3991 2.083776   1  2  2    2   43.3943  2.083996   -0.0048 -0.000221
   43.9089 2.060751   1  4  0    2   43.9089  2.060750    0.0000  0.000001
   46.6415 1.946156   0  1  3    2   46.6399  1.946219   -0.0016 -0.000062
   49.1374 1.852961   2  0  2    2   49.1378  1.852947    0.0004  0.000014
   50.5716 1.803713   2  4  0    2   50.5755  1.803584    0.0039  0.000129
   52.9701 1.727536  -2  4  2    2   52.9638  1.727728   -0.0063 -0.000192
   53.7366 1.704684   2  2  2    2   53.7373  1.704664    0.0007  0.000020
   55.8641 1.644687   0  3  3    2   55.8699  1.644531    0.0058  0.000156
   59.3022 1.557257  -2  5  1    2   59.2982  1.557353   -0.0040 -0.000095
   60.4486 1.530433  -2  2  4    2   60.4444  1.530529   -0.0042 -0.000096
   69.7828 1.346764  -2  5  3    2   69.7846  1.346735    0.0018  0.000030
   85.7355 1.132362  -4  3  5    2   85.7370  1.132346    0.0015  0.000016

 rmse = 0.00004228069
 
     A =     7.0648(5)         B =     8.6977(3)          C =     6.5538(2)      
 Alpha =    90.             Beta =   113.928(3)       Gamma =    90.             
 
 Volume =    368.11(2)