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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050392
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.9487 4.671328   1  1  1    2   18.9484  4.671410   -0.0003 -0.000082
   31.2090 2.860541   2  2  0    2   31.2079  2.860643   -0.0011 -0.000102
   36.7804 2.439411   3  1  1    2   36.7780  2.439564   -0.0024 -0.000153
   38.4770 2.335755   2  2  2    2   38.4779  2.335705    0.0009  0.000050
   44.7316 2.022851   4  0  0    2   44.7333  2.022780    0.0017  0.000071
   55.5718 1.651445   4  2  2    2   55.5664  1.651593   -0.0054 -0.000148
   59.2612 1.557189   5  1  1    2   59.2634  1.557137    0.0022  0.000052
   65.1398 1.430219   4  4  0    2   65.1346  1.430321   -0.0052 -0.000102
   73.9968 1.279479   6  2  0    2   74.0077  1.279318    0.0109  0.000161
   77.2224 1.233907   5  3  3    2   77.2241  1.233884    0.0017  0.000023
   82.4937 1.167933   4  4  4    2   82.5006  1.167852    0.0069  0.000080
   85.6454 1.132854   5  5  1    2   85.6333  1.132983   -0.0121 -0.000129

 rmse = 0.00008350474
 
     A =     8.0911(2)         B =     8.0911(2)          C =     8.0911(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    529.69(4)