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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040111
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.028
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.3939 6.619145   0  2  1    2   13.3903  6.620914   -0.0036 -0.001769
   15.1133 5.868331  -1  1  1    2   15.1075  5.870579   -0.0058 -0.002248
   18.7328 4.740109   0  4  0    2   18.7318  4.740349   -0.0010 -0.000240
   19.2114 4.622913   0  0  2    2   19.2020  4.625162   -0.0094 -0.002249
   20.4755 4.339875   1  1  1    2   20.4821  4.338488    0.0066  0.001387
   21.0742 4.217749   0  4  1    2   21.0695  4.218676   -0.0047 -0.000927
   21.3896 4.156181   0  2  2    2   21.3860  4.156875   -0.0036 -0.000695
   24.4386 3.643511   1  3  1    2   24.4469  3.642294    0.0083  0.001217
   26.9366 3.310669   0  4  2    2   26.9384  3.310457    0.0018  0.000212
   28.2589 3.158532   1  1  2    2   28.2598  3.158434    0.0009  0.000098
   29.8750 2.991084   0  6  1    2   29.8807  2.990529    0.0057  0.000555
   31.3208 2.856105   1  3  2    2   31.3084  2.857207   -0.0124 -0.001102
   33.3458 2.686996  -2  4  1    2   33.3443  2.687115   -0.0015 -0.000119
   34.3707 2.609115   0  6  2    2   34.3681  2.609307   -0.0026 -0.000192
   37.1428 2.420355   1  1  3    2   37.1461  2.420150    0.0033  0.000206
   39.6943 2.270347  -2  6  1    2   39.7065  2.269679    0.0122  0.000669
   41.6265 2.169247   2  2  2    2   41.6266  2.169244    0.0001  0.000003
   42.8571 2.109724   0  8  2    2   42.8653  2.109338    0.0082  0.000386
   43.5402 2.078173   0  4  4    2   43.5344  2.078438   -0.0058 -0.000265
   45.4878 1.993563  -1  9  1    2   45.4791  1.993924   -0.0087 -0.000361
   49.4925 1.841125   2  2  3    2   49.4969  1.840973    0.0044  0.000152
   53.1217 1.723508   0  4  5    2   53.1234  1.723458    0.0017  0.000050
   54.8238 1.673927   3  5  1    2   54.8189  1.674064   -0.0049 -0.000137
   62.7155 1.480830  -2  8  5    2   62.7157  1.480826    0.0002  0.000004

 rmse = 0.00005361994
 
     A =     6.5239(8)         B =    18.961(2)           C =     9.8433(8)      
 Alpha =    90.             Beta =   109.990(8)       Gamma =    90.             
 
 Volume =   1144.3(1)