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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050314
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.0025 9.834055   0  1  0    2    9.0052  9.831109    0.0027  0.002946
   13.8999 6.373860   0  0  1    2   13.9000  6.373808    0.0001  0.000052
   14.9463 5.929368   0 -1  1    2   14.9503  5.927781    0.0040  0.001587
   18.0488 4.915530   0  2  0    2   18.0487  4.915554   -0.0001 -0.000025
   22.5232 3.947357  -1  1  0    2   22.5222  3.947525   -0.0010 -0.000168
   22.8424 3.892870   1  2  0    2   22.8457  3.892308    0.0033  0.000563
   24.5542 3.625023  -1  1  1    2   24.5565  3.624684    0.0023  0.000339
   27.2108 3.276612   0  3  0    2   27.2072  3.277036   -0.0036 -0.000425
   28.9220 3.086403  -1  2  0    2   28.9178  3.086837   -0.0042 -0.000434
   31.4134 2.846932  -1  2  1    2   31.4148  2.846808    0.0014  0.000123
   34.7462 2.580970  -1 -4  1    2   34.7464  2.580957    0.0002  0.000013
   37.7652 2.381196   2  0  0    2   37.7651  2.381200   -0.0001 -0.000004
   38.2674 2.351079   1  0  2    2   38.2669  2.351110   -0.0005 -0.000031
   46.1788 1.964873  -2 -3  3    2   46.1784  1.964888   -0.0004 -0.000015
   46.8655 1.937660   1 -4  1    2   46.8667  1.937614    0.0012  0.000045

 rmse = 0.00001709586
 
     A =5.2299(3)              B =10.5500(5)              C =6.9613(4)           
 Alpha =106.854(6)          Beta =110.735(3)          Gamma =72.144(4)           
 
 Volume = 334.73(3)