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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050302
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.080
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.2509 5.159849   2  0  0    2   17.2333  5.165111   -0.0176 -0.005263
   21.1572 4.211549   2  1  1    2   21.1282  4.217296   -0.0290 -0.005746
   24.4191 3.654003   2  2  0    2   24.4307  3.652285    0.0116  0.001717
   30.0538 2.978686   2  2  2    2   30.0189  2.982078   -0.0349 -0.003393
   32.5288 2.756917   3  2  1    2   32.4811  2.760868   -0.0477 -0.003951
   34.7857 2.582627   4  0  0    2   34.7867  2.582556    0.0010  0.000071
   36.9622 2.435063   4  1  1    2   36.9654  2.434857    0.0032  0.000206
   39.0467 2.309464   4  2  0    2   39.0389  2.309908   -0.0078 -0.000444
   40.9524 2.206075   3  3  2    2   41.0234  2.202411    0.0710  0.003664
   42.8937 2.110431   4  2  2    2   42.9317  2.108648    0.0380  0.001783
   44.7990 2.024838   4  3  1    2   44.7737  2.025923   -0.0253 -0.001086
   48.2968 1.885800   5  2  1    2   48.2905  1.886032   -0.0063 -0.000232
   49.9637 1.826619   4  4  0    2   49.9776  1.826143    0.0139  0.000476
   54.8458 1.674763   5  3  2    2   54.8097  1.675783   -0.0361 -0.001020
   56.3945 1.632323   6  2  0    2   56.3559  1.633352   -0.0386 -0.001029
   59.3140 1.558644   6  2  2    2   59.3686  1.557340    0.0546  0.001305
   63.6724 1.461914   5  4  3    2   63.7210  1.460914    0.0486  0.001000
   73.3700 1.290567   8  0  0    2   73.3231  1.291278   -0.0469 -0.000711
   77.3008 1.234383   6  5  3    2   77.2775  1.234698   -0.0233 -0.000315
   79.9194 1.200351   8  3  1    2   79.8785  1.200864   -0.0409 -0.000513
   81.1057 1.185744   6  6  2    2   81.1707  1.184958    0.0650  0.000787
   83.7420 1.154956   8  4  0    2   83.7422  1.154954    0.0002  0.000002

 rmse = 0.00043903856
 
     A =10.330(1)              B =10.330(1)               C =10.330(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1102.4(0)