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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050297
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.027
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.0505 6.792402   2  0  0    2   13.0638  6.785477    0.0133  0.006926
   15.2898 5.800485   1  1  0    2   15.3019  5.795902    0.0121  0.004583
   19.0428 4.663283   2  1  0    2   19.0580  4.659598    0.0152  0.003685
   19.6261 4.525790   3  0  0    2   19.6355  4.523651    0.0094  0.002138
   22.0239 4.037560   0  1  1    2   22.0324  4.036013    0.0085  0.001547
   24.0762 3.697443   3  1  0    2   24.0861  3.695942    0.0099  0.001500
   26.2656 3.393670   4  0  0    2   26.2729  3.392738    0.0073  0.000932
   27.4005 3.255489  -3  1  1    2   27.4079  3.254631    0.0074  0.000859
   27.8387 3.205183   0  2  0    2   27.8408  3.204942    0.0021  0.000240
   29.7984 2.998508   4  1  0    2   29.7974  2.998602   -0.0010 -0.000094
   30.8548 2.898120   2  2  0    2   30.8566  2.897951    0.0018  0.000169
   35.9247 2.499579   5  1  0    2   35.9280  2.499357    0.0033  0.000222
   38.6387 2.329897   4  2  0    2   38.6404  2.329799    0.0017  0.000098
   40.3482 2.234970  -4  2  1    2   40.3429  2.235252   -0.0053 -0.000282
   43.2715 2.090416   3  0  2    2   43.2649  2.090720   -0.0066 -0.000305
   47.0317 1.931578   3  3  0    2   47.0216  1.931967   -0.0101 -0.000390
   48.1638 1.888760  -6  0  2    2   48.1593  1.888925   -0.0045 -0.000165
   57.5027 1.602083   0  4  0    2   57.4875  1.602471   -0.0152 -0.000388
   59.9484 1.542405  -1  2  3    2   59.9521  1.542317    0.0037  0.000087
   67.8202 1.381192   8  2  1    2   67.8193  1.381208   -0.0009 -0.000016
   77.3108 1.233539   3  5  0    2   77.3208  1.233405    0.0100  0.000134

 rmse = 0.00007789762
 
     A =13.813(1)              B =6.4099(3)               C =5.2877(6)           
 Alpha =90                  Beta =100.74(1)           Gamma =90                  
 
 Volume = 459.97(5)