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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050269
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.4045 6.161713   1  0  0    2   14.4133  6.157949    0.0088  0.003765
   18.8890 4.704498   1  1  0    2   18.8964  4.702662    0.0074  0.001837
   24.6373 3.616469  -1  0  2    2   24.6305  3.617454   -0.0068 -0.000985
   27.5505 3.239739  -1  1  2    2   27.5490  3.239917   -0.0015 -0.000178
   29.0141 3.079319   2  0  0    2   29.0174  3.078974    0.0033  0.000345
   35.2008 2.550351  -2  2  1    2   35.1928  2.550914   -0.0080 -0.000562
   44.1341 2.052146   3  0  0    2   44.1227  2.052650   -0.0114 -0.000503
   44.9635 2.016165  -1  3  2    2   44.9668  2.016026    0.0033  0.000139
   45.6994 1.985366  -2  2  3    2   45.7061  1.985088    0.0067  0.000278
   45.9399 1.975521   3  1  0    2   45.9354  1.975703   -0.0045 -0.000183
   46.2514 1.962926   2  2  1    2   46.2542  1.962812    0.0028  0.000114
   51.1173 1.786755  -4  0  2    2   51.1103  1.786983   -0.0070 -0.000229
   52.7119 1.736353  -3  0  4    2   52.7082  1.736467   -0.0037 -0.000114
   55.1943 1.663929   3  1  1    2   55.2078  1.663553    0.0135  0.000375
   56.8177 1.620145  -2  2  4    2   56.8248  1.619959    0.0071  0.000186
   57.5357 1.601607   2  2  2    2   57.5282  1.601799   -0.0075 -0.000192
   59.7128 1.548266  -4  2  1    2   59.7144  1.548227    0.0016  0.000039
   60.0810 1.539648   4  0  0    2   60.0879  1.539487    0.0069  0.000161
   71.2682 1.322801   2  2  3    2   71.2635  1.322876   -0.0047 -0.000075
   76.7933 1.240755  -2  5  3    2   76.7922  1.240769   -0.0011 -0.000014

 rmse = 0.00007748481
 
     A =7.1489(5)              B =7.2841(6)               C =7.2349(6)           
 Alpha =90                  Beta =120.527(5)          Gamma =90                  
 
 Volume = 324.53(3)