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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050149
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.024
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.8956 4.959040   1  0  1    2   17.9061  4.956139    0.0105  0.002901
   27.4956 3.244024   1  1  2    2   27.4979  3.243759    0.0023  0.000265
   32.9786 2.715734   2  0  0    2   32.9813  2.715521    0.0027  0.000213
   37.7767 2.380880   2  1  1    2   37.7668  2.381481   -0.0099 -0.000601
   40.7548 2.213407   1  0  5    2   40.7546  2.213416   -0.0002 -0.000009
   44.8048 2.022179   2  0  4    2   44.8048  2.022179    0.0000  0.000000
   51.0693 1.787739   1  1  6    2   51.0711  1.787681    0.0018  0.000058
   55.5939 1.652413   1  3  2    2   55.5958  1.652361    0.0019  0.000052
   72.1576 1.308380   3  1  6    2   72.1555  1.308412   -0.0021 -0.000033
   86.2324 1.127249   4  2  4    2   86.2334  1.127238    0.0010  0.000011

 rmse = 0.00004015600
 
     A =     5.4310(2)         B =     5.4310(2)          C =    12.1192(7)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    357.47(2)