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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050039Titanite_processedpattern_bg
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.047
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.9155 4.960015   0  1  1    2   17.9084  4.961965   -0.0071 -0.001950
   27.5539 3.239992  -2  1  1    2   27.5493  3.240520   -0.0046 -0.000527
   29.6826 3.011930   0  0  2    2   29.6770  3.012482   -0.0056 -0.000552
   34.1835 2.624396   0  3  1    2   34.1791  2.624721   -0.0044 -0.000325
   34.5532 2.597119   2  2  0    2   34.5537  2.597081    0.0005  0.000039
   39.2624 2.295403   1  3  1    2   39.2676  2.295109    0.0052  0.000294
   39.7707 2.267195  -3  1  1    2   39.7690  2.267288   -0.0017 -0.000094
   42.6925 2.118377  -1  1  3    2   42.7016  2.117945    0.0091  0.000432
   50.4017 1.810641   2  4  0    2   50.4058  1.810502    0.0041  0.000139
   55.5637 1.653883   0  3  3    2   55.5599  1.653988   -0.0038 -0.000105
   69.4688 1.352714  -2  5  3    2   69.4674  1.352738   -0.0014 -0.000023

 rmse = 0.00005417205
 
     A =     7.0510(9)         B =     8.7478(7)          C =     6.5810(7)      
 Alpha =    90.             Beta =   113.72(1)        Gamma =    90.             
 
 Volume =    371.63(5)