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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050227
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.035
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.1671 7.289446   2  0  0    2   12.1750  7.284731    0.0079  0.004715
   18.3701 4.834866   1  2  0    2   18.3749  4.833614    0.0048  0.001251
   25.2760 3.525502   3  2  0    2   25.2813  3.524773    0.0053  0.000728
   26.8267 3.324857   1  3  0    2   26.8198  3.325693   -0.0069 -0.000836
   27.8400 3.205946  -3  1  2    2   27.8344  3.206582   -0.0056 -0.000636
   28.0629 3.180954   1  1  2    2   28.0626  3.180986   -0.0003 -0.000032
   28.8791 3.092770   2  3  0    2   28.8793  3.092746    0.0002  0.000024
   29.7639 3.002704  -4  0  2    2   29.7617  3.002917   -0.0022 -0.000213
   30.0793 2.971896   2  0  2    2   30.0834  2.971503    0.0041  0.000393
   32.0404 2.794126   3  3  0    2   32.0422  2.793972    0.0018  0.000154
   32.6748 2.741252   2  3  1    2   32.6723  2.741460   -0.0025 -0.000208
   42.7568 2.114777  -6  2  2    2   42.7544  2.114889   -0.0024 -0.000112
   43.1465 2.096559   4  2  2    2   43.1467  2.096549    0.0002  0.000010
   44.6451 2.029545   1  5  0    2   44.6452  2.029543    0.0001  0.000002
   47.3283 1.920464  -6  3  2    2   47.3331  1.920279    0.0048  0.000185
   48.0240 1.894234  -2  0  4    2   48.0242  1.894226    0.0002  0.000008
   52.3333 1.747836   5  3  2    2   52.3325  1.747859   -0.0008 -0.000023
   53.3801 1.715979   8  2  0    2   53.3790  1.716010   -0.0011 -0.000031

 rmse = 0.00002806920
 
     A =    15.0945(6)         B =    10.2476(5)          C =     7.5773(3)      
 Alpha =    90.             Beta =   105.156(4)       Gamma =    90.             
 
 Volume =   1131.31(6)