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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050097
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.8924 8.963584   0  2  0    2    9.8986  8.957930    0.0062  0.005653
   11.1725 7.936251   2  0  0    2   11.1802  7.930816    0.0077  0.005435
   13.0300 6.805907  -2  0  1    2   13.0416  6.799852    0.0116  0.006054
   13.3534 6.641389   0  0  1    2   13.3467  6.644729   -0.0067 -0.003340
   14.9391 5.938265   2  2  0    2   14.9397  5.938017    0.0006  0.000247
   16.8770 5.259184  -3  1  1    2   16.8773  5.259079    0.0003  0.000105
   17.3597 5.113743   1  1  1    2   17.3503  5.116500   -0.0094 -0.002757
   19.1053 4.649463  -1  3  1    2   19.0936  4.652289   -0.0117 -0.002826
   20.3445 4.368513  -4  0  1    2   20.3451  4.368385    0.0006  0.000128
   22.8100 3.900914   2  4  0    2   22.8154  3.899993    0.0054  0.000920
   23.1921 3.837411   2  2  1    2   23.1958  3.836803    0.0037  0.000607
   24.9882 3.565142  -3  1  2    2   24.9955  3.564119    0.0073  0.001023
   26.0120 3.426920  -2  2  2    2   26.0064  3.427649   -0.0056 -0.000730
   26.2286 3.399073  -4  0  2    2   26.2219  3.399926   -0.0067 -0.000853
   26.8433 3.322519   0  0  2    2   26.8446  3.322364    0.0013  0.000155
   28.0772 3.179075  -4  2  2    2   28.0808  3.178676    0.0036  0.000398
   28.5532 3.127089  -4  4  1    2   28.5514  3.127278   -0.0018 -0.000188
   29.0347 3.076258  -1  3  2    2   29.0373  3.075993    0.0026  0.000265
   31.9514 2.801492   5  3  0    2   31.9503  2.801585   -0.0011 -0.000093

 rmse = 0.00003213885
 
     A =    17.720(3)          B =    17.915(4)           C =     7.4233(7)      
 Alpha =    90.             Beta =   116.47(1)        Gamma =    90.             
 
 Volume =   2109.5(4)