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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050420
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.007
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.121010.887301   1  0  0    2    8.1300 10.875303    0.0090  0.011998
   14.8255 5.973150   0  1  1    2   14.8255  5.973154    0.0000 -0.000003
   15.0826 5.871859   1  1  0    2   15.0806  5.872640   -0.0020 -0.000782
   15.3376 5.774760   0  0  2    2   15.3280  5.778347   -0.0096 -0.003587
   16.2861 5.440370   2  0  0    2   16.2943  5.437652    0.0082  0.002719
   20.7020 4.288407   2  1  0    2   20.6991  4.289007   -0.0029 -0.000599
   24.5383 3.625771   3  0  0    2   24.5429  3.625101    0.0046  0.000670
   25.5212 3.488278   0  2  0    2   25.5181  3.488698   -0.0031 -0.000420
   29.1693 3.059676   2  1  2    2   29.1667  3.059939   -0.0026 -0.000263
   29.5170 3.024412  -1  2  2    2   29.5167  3.024447   -0.0003 -0.000035
   31.4099 2.846290  -2  2  2    2   31.4107  2.846218    0.0008  0.000073
   32.1526 2.782204  -2  1  4    2   32.1515  2.782296   -0.0011 -0.000092
   32.9142 2.719532   4  0  0    2   32.9230  2.718826    0.0088  0.000706
   35.6956 2.513702   3  2  0    2   35.6953  2.513721   -0.0003 -0.000019
   36.4855 2.461063  -4  0  4    2   36.4874  2.460940    0.0019  0.000123
   37.1864 2.416262   1  1  4    2   37.1867  2.416243    0.0003  0.000018
   38.7203 2.323981  -5  0  2    2   38.7145  2.324318   -0.0058 -0.000337
   39.0230 2.306645  -1  2  4    2   39.0206  2.306781   -0.0024 -0.000136
   40.1563 2.244110   2  0  4    2   40.1595  2.243938    0.0032  0.000172
   41.8411 2.157544   0  3  2    2   41.8403  2.157583   -0.0008 -0.000039
   50.7808 1.796658  -6  1  4    2   50.7799  1.796688   -0.0009 -0.000030
   53.0067 1.726325   1  3  4    2   53.0119  1.726167    0.0052  0.000158
   55.5266 1.653789   4  1  4    2   55.5227  1.653895   -0.0039 -0.000106
   56.5665 1.625826   1  4  2    2   56.5653  1.625856   -0.0012 -0.000030
   74.8793 1.267163  -9  1  4    2   74.8799  1.267155    0.0006  0.000009

 rmse = 0.00003142063
 
     A =    11.6251(3)         B =     6.9773(3)          C =    12.3534(9)      
 Alpha =    90.             Beta =   110.690(4)       Gamma =    90.             
 
 Volume =    937.39(5)