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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050210
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.037
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.5320 8.422262   1  1  0    2   10.5339  8.420748    0.0019  0.001514
   17.4661 5.083980   1  3  0    2   17.4634  5.084770   -0.0027 -0.000790
   18.2001 4.880148  -1  1  1    2   18.2087  4.877859    0.0086  0.002290
   18.6614 4.760301   2  0  0    2   18.6600  4.760668   -0.0014 -0.000367
   19.7105 4.508757   0  4  0    2   19.7021  4.510657   -0.0084 -0.001899
   21.1218 4.210044   2  2  0    2   21.1201  4.210374   -0.0017 -0.000329
   26.3973 3.378231   0  4  1    2   26.3940  3.378651   -0.0033 -0.000421
   27.2532 3.273903   2  4  0    2   27.2495  3.274334   -0.0037 -0.000431
   28.5702 3.125713   3  1  0    2   28.5695  3.125787   -0.0007 -0.000074
   31.9019 2.806089   3  3  0    2   31.8923  2.806916   -0.0096 -0.000827
   33.1468 2.703371   1  5  1    2   33.1435  2.703634   -0.0033 -0.000263
   38.5039 2.338312  -3  5  1    2   38.5097  2.337970    0.0058  0.000342
   39.2166 2.297402  -1  7  1    2   39.2181  2.297320    0.0015  0.000082
   41.8136 2.160392   2  6  1    2   41.8093  2.160604   -0.0043 -0.000212
   44.3801 2.041125   2  0  2    2   44.3811  2.041081    0.0010  0.000044
   45.3159 2.001091   3  7  0    2   45.3226  2.000811    0.0067  0.000280
   48.0363 1.893836   5  1  0    2   48.0386  1.893749    0.0023  0.000087
   50.2430 1.815645   5  3  0    2   50.2491  1.815438    0.0061  0.000207
   55.7232 1.649242   4  6  1    2   55.7223  1.649266   -0.0009 -0.000024
   56.1703 1.637161   4  8  0    2   56.1701  1.637167   -0.0002 -0.000006
   72.0246 1.310676  -7  5  1    2   72.0213  1.310729   -0.0033 -0.000052

 rmse = 0.00004094783
 
     A =     9.8483(4)         B =    18.042(1)           C =     5.2747(8)      
 Alpha =    90.             Beta =   104.806(8)       Gamma =    90.             
 
 Volume =    906.1(1)