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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050247
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.045
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.3713 4.162872   1  1  0    2   21.3765  4.161868    0.0052  0.001004
   26.2341 3.399898   1  1  1    2   26.2478  3.398151    0.0137  0.001747
   30.3951 2.942584   2  0  0    2   30.3919  2.942885   -0.0032 -0.000301
   34.0740 2.632404   2  1  0    2   34.0768  2.632196    0.0028  0.000208
   37.4331 2.403253   2  1  1    2   37.4395  2.402856    0.0064  0.000398
   43.5145 2.080089   2  2  0    2   43.4960  2.080934   -0.0185 -0.000845
   48.9483 1.860913   3  0  1    2   48.9390  1.861244   -0.0093 -0.000331
   51.4964 1.774577   3  1  1    2   51.4949  1.774627   -0.0015 -0.000049
   53.9412 1.699707   2  2  2    2   53.9629  1.699076    0.0217  0.000632
   56.3673 1.632109   3  0  2    2   56.3557  1.632419   -0.0116 -0.000310
   58.6794 1.573140   3  2  1    2   58.6836  1.573038    0.0042  0.000102
   73.7488 1.284337   4  2  1    2   73.7459  1.284380   -0.0029 -0.000043
   75.7777 1.254892   3  3  2    2   75.7806  1.254850    0.0029  0.000041

 rmse = 0.00011249810
 
     A =5.8858(3)              B =5.8858(3)               C =5.8858(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 203.90(3)