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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050627
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.006
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.1393 7.281135   1  1  0    2   12.1462  7.277028    0.0069  0.004107
   15.3797 5.754187   0  2  0    2   15.3719  5.757103   -0.0078 -0.002916
   18.8867 4.693232   2  0  0    2   18.8792  4.695070   -0.0075 -0.001838
   20.1183 4.408705   0  0  1    2   20.1298  4.406202    0.0115  0.002502
   23.4337 3.792089  -1  1  1    2   23.4453  3.790244    0.0116  0.001845
   23.7065 3.749077   1  1  1    2   23.7112  3.748345    0.0047  0.000732
   25.4266 3.499279   0  2  1    2   25.4286  3.499013    0.0020  0.000267
   27.9607 3.187698   2  0  1    2   27.9644  3.187286    0.0037  0.000412
   31.0476 2.877501   0  4  0    2   31.0360  2.878552   -0.0116 -0.001050
   31.6744 2.821985  -2  2  1    2   31.6624  2.823031   -0.0120 -0.001046
   35.7392 2.509849  -3  1  1    2   35.7423  2.509640    0.0031  0.000208
   36.5729 2.454535   2  4  0    2   36.5805  2.454041    0.0076  0.000495
   37.2729 2.410038   0  4  1    2   37.2756  2.409868    0.0027  0.000170
   38.3176 2.346709   4  0  0    2   38.3036  2.347535   -0.0140 -0.000826
   41.9437 2.151864  -2  4  1    2   41.9471  2.151698    0.0034  0.000166
   42.2617 2.136407  -3  3  1    2   42.2638  2.136306    0.0021  0.000101
   45.7187 1.982602   2  0  2    2   45.7299  1.982144    0.0112  0.000458
   52.2452 1.749279   0  4  2    2   52.2379  1.749506   -0.0073 -0.000228
   54.7793 1.674205   4  4  1    2   54.7805  1.674171    0.0012  0.000034
   55.7883 1.646295  -2  4  2    2   55.7871  1.646328   -0.0012 -0.000033
   57.8079 1.593497   4  0  2    2   57.8021  1.593643   -0.0058 -0.000146
   68.1324 1.375022   6  4  0    2   68.1365  1.374949    0.0041  0.000073

 rmse = 0.00006752478
 
     A =9.3914(7)              B =11.514(2)               C =4.4068(4)           
 Alpha =90                  Beta =90.927(8)           Gamma =90                  
 
 Volume = 476.46(5)