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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050009
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.053
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.1095 3.854343   0  1  2    2   23.1079  3.854615   -0.0016 -0.000272
   29.4561 3.035224   1  0  4    2   29.4530  3.035538   -0.0031 -0.000314
   31.4832 2.843932   0  0  6    2   31.4862  2.843670    0.0030  0.000263
   36.0209 2.494860   1  1  0    2   36.0243  2.494631    0.0034  0.000229
   39.4679 2.284248   1  1  3    2   39.4629  2.284526   -0.0050 -0.000279
   43.2104 2.094432   2  0  2    2   43.2132  2.094302    0.0028  0.000131
   47.1706 1.927212   0  2  4    2   47.1681  1.927308   -0.0025 -0.000096
   47.5607 1.912293   0  1  8    2   47.5562  1.912464   -0.0045 -0.000171
   48.5565 1.875334   1  1  6    2   48.5574  1.875301    0.0009  0.000032
   56.6096 1.625918   2  1  1    2   56.6183  1.625689    0.0087  0.000228
   57.4544 1.603980   1  2  2    2   57.4539  1.603993   -0.0005 -0.000013
   60.7308 1.524975   2  1  4    2   60.7228  1.525157   -0.0080 -0.000182
   61.0485 1.517791   2  0  8    2   61.0495  1.517769    0.0010  0.000022
   61.4187 1.509519   1  1  9    2   61.4246  1.509389    0.0059  0.000130
   63.1047 1.473150   1  2  5    2   63.1067  1.473108    0.0020  0.000042
   64.7219 1.440161   3  0  0    2   64.7161  1.440276   -0.0058 -0.000115
   65.6658 1.421710   0  0 12    2   65.6593  1.421835   -0.0065 -0.000125
   69.2328 1.356856   2  1  7    2   69.2398  1.356736    0.0070  0.000119
   70.2883 1.339027   0  2 10    2   70.2909  1.338984    0.0026  0.000043
   72.9439 1.296651   1  2  8    2   72.9447  1.296638    0.0008  0.000013
   81.5740 1.179792   2  1 10    2   81.5749  1.179780    0.0009  0.000011
   83.8292 1.153676   1  3  4    2   83.8258  1.153714   -0.0034 -0.000038

 rmse = 0.00005625930
 
     A =     4.9892(1)         B =     4.9892(1)          C =    17.0620(6)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    367.81(2)