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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050272
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.0287 3.705567   0  1  2    2   24.0261  3.705957   -0.0026 -0.000391
   30.8746 2.896855   1  0  4    2   30.8739  2.896919   -0.0007 -0.000064
   37.2959 2.411077   1  1  0    2   37.3034  2.410609    0.0075  0.000468
   41.0492 2.198690   1  1  3    2   41.0481  2.198747   -0.0011 -0.000056
   44.8449 2.020871   2  0  2    2   44.8483  2.020727    0.0034  0.000144
   50.3610 1.811542   0  1  8    2   50.3459  1.812052   -0.0151 -0.000510
   50.9238 1.792821   2 -1  6    2   50.9248  1.792790    0.0010  0.000032
   59.6823 1.548789  -1  3  2    2   59.6902  1.548603    0.0079  0.000186
   63.2767 1.469140   3 -1  4    2   63.2782  1.469109    0.0015  0.000031
   64.2818 1.448561   2  0  8    2   64.2868  1.448460    0.0050  0.000101
   67.2504 1.391617   3  0  0    2   67.2423  1.391766   -0.0081 -0.000148
   82.2256 1.171844   1  1 12    2   82.2286  1.171810    0.0030  0.000035
   87.6420 1.112806   1  3  4    2   87.6399  1.112827   -0.0021 -0.000021

 rmse = 0.00007700180
 
     A =4.8212(2)              B =4.8212(2)               C =16.091(1)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 323.91(2)