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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050125
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.028
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.8888 4.254736   1  0  0    2   20.8885  4.254804   -0.0003 -0.000068
   26.6685 3.343327   0  1  1    2   26.6695  3.343201    0.0010  0.000126
   36.5701 2.456938   1  1  0    2   36.5767  2.456512    0.0066  0.000426
   39.4921 2.281491   0  1  2    2   39.4972  2.281210    0.0051  0.000281
   40.3261 2.236177   1  1  1    2   40.3225  2.236369   -0.0036 -0.000192
   42.4909 2.127048   2  0  0    2   42.4835  2.127402   -0.0074 -0.000354
   45.8258 1.979617   2  0  1    2   45.8267  1.979579    0.0009  0.000038
   50.1748 1.817649   1  1  2    2   50.1714  1.817762   -0.0034 -0.000114
   54.8997 1.671780   0  2  2    2   54.9061  1.671601    0.0064  0.000179
   55.3575 1.659026   0  1  3    2   55.3571  1.659038   -0.0004 -0.000011
   59.9993 1.541231   1  2  1    2   59.9928  1.541383   -0.0065 -0.000152
   64.0676 1.452779   1  1  3    2   64.0668  1.452796   -0.0008 -0.000017
   67.7709 1.382088   1  2  2    2   67.7767  1.381984    0.0058  0.000104
   73.5000 1.287818   1  0  4    2   73.4981  1.287847   -0.0019 -0.000029
   75.6939 1.255836   3  0  2    2   75.6942  1.255832    0.0003  0.000004

 rmse = 0.00005086177
 
     A =     4.9130(2)         B =     4.9130(2)          C =     5.4049(2)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    112.984(6)