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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060045
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.008
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.7802 9.043904   0  2  0    2    9.7859  9.038633    0.0057  0.005270
   10.4918 8.431555   1  1  0    2   10.4998  8.425159    0.0080  0.006396
   18.1557 4.884362  -1  1  1    2   18.1552  4.884491   -0.0005 -0.000129
   19.6334 4.519790   0  4  0    2   19.6355  4.519317    0.0021  0.000474
   22.9078 3.880369  -1  3  1    2   22.9046  3.880900   -0.0032 -0.000531
   26.3317 3.382895   1  3  1    2   26.3300  3.383113   -0.0017 -0.000217
   27.1910 3.277874   2  4  0    2   27.1912  3.277854    0.0002  0.000020
   28.5334 3.126593   3  1  0    2   28.5354  3.126380    0.0020  0.000214
   30.3773 2.940825   2  2  1    2   30.3792  2.940646    0.0019  0.000179
   31.8527 2.807857   3  3  0    2   31.8465  2.808386   -0.0062 -0.000529
   32.7185 2.735486  -3  3  1    2   32.7188  2.735461    0.0003  0.000025
   33.0525 2.708596   1  5  1    2   33.0559  2.708323    0.0034  0.000273
   34.5459 2.594817   0  6  1    2   34.5408  2.595191   -0.0051 -0.000374
   35.3648 2.536571  -2  0  2    2   35.3644  2.536597   -0.0004 -0.000025
   38.4402 2.340367  -3  5  1    2   38.4436  2.340167    0.0034  0.000200
   41.7131 2.163951   2  6  1    2   41.7143  2.163891    0.0012  0.000060
   48.0025 1.894029   5  1  0    2   48.0021  1.894044   -0.0004 -0.000015

 rmse = 0.00002424098
 
     A =9.8485(4)              B =18.077(1)               C =5.2836(4)           
 Alpha =90                  Beta =104.781(6)          Gamma =90                  
 
 Volume = 909.54(7)