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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060107
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.080
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.1274 6.779665   0  2  0    2   13.1137  6.786761   -0.0137 -0.007097
   19.2685 4.621539   0  2  1    2   19.2582  4.624007   -0.0103 -0.002468
   16.1675 5.504705  -1  1  1    2   16.1572  5.508197   -0.0103 -0.003492
   16.4734 5.402671   1  2  0    2   16.4641  5.405733   -0.0093 -0.003062
   36.3514 2.474634  -1  5  1    2   36.3430  2.475187   -0.0084 -0.000553
   11.9299 7.461948   1  1  0    2   11.9227  7.466473   -0.0072 -0.004525
   36.1409 2.488595   3  3  0    2   36.1375  2.488824   -0.0034 -0.000230
   29.3437 3.049297  -3  0  1    2   29.3425  3.049424   -0.0012 -0.000127
   32.2343 2.781465  -3  2  1    2   32.2334  2.781543   -0.0009 -0.000078
   36.8620 2.441445   3  0  1    2   36.8613  2.441488   -0.0007 -0.000043
   15.5380 5.727425   0  1  1    2   15.5385  5.727253    0.0005  0.000171
   31.2865 2.863747   0  2  2    2   31.2878  2.863627    0.0013  0.000121
   21.9120 4.067559  -2  1  1    2   21.9141  4.067165    0.0021  0.000394
   39.8890 2.262501   0  6  0    2   39.8935  2.262254    0.0045  0.000248
   14.7606 6.028916  -1  0  1    2   14.7659  6.026738    0.0053  0.002178
   24.7121 3.611151  -2  2  1    2   24.7204  3.609947    0.0083  0.001204
   24.2450 3.679884   0  3  1    2   24.2552  3.678361    0.0102  0.001523
   23.8789 3.735657   2  2  0    2   23.8946  3.733236    0.0157  0.002420

 rmse = 0.00004791433
 
     A =9.323(1)               B =13.574(1)               C =6.587(1)            
 Alpha =90                  Beta =106.47(1)           Gamma =90                  
 
 Volume = 799.4(2)