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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040071
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.498310.446843   0  0  2    2    8.5060 10.437308    0.0077  0.009534
   17.0112 5.220519   0  0  4    2   17.0173  5.218654    0.0061  0.001865
   17.2930 5.135873   0  2  0    2   17.2978  5.134447    0.0048  0.001426
   17.8130 4.986751   0  2  1    2   17.8163  4.985842    0.0033  0.000909
   19.2855 4.608372   0  2  2    2   19.2906  4.607161    0.0051  0.001212
   22.7153 3.918440   1  0  3    2   22.7159  3.918345    0.0006  0.000095
   24.3379 3.660303   0  2  4    2   24.3399  3.660011    0.0020  0.000292
   25.6180 3.479934   0  0  6    2   25.6242  3.479103    0.0062  0.000831
   25.9499 3.436102   1  2  1    2   25.9512  3.435930    0.0013  0.000172
   26.8630 3.321161   1  1  4    2   26.8658  3.320822    0.0028  0.000339
   29.8318 2.996598   1  1  5    2   29.8277  2.997002   -0.0041 -0.000404
   30.8749 2.897559   1  2  4    2   30.8779  2.897287    0.0030  0.000272
   32.2742 2.774891   1  3  0    2   32.2687  2.775356   -0.0055 -0.000464
   32.5604 2.751120   1  3  1    2   32.5601  2.751147   -0.0003 -0.000027
   33.1265 2.705329   1  1  6    2   33.1194  2.705893   -0.0071 -0.000564
   33.4268 2.681678   1  3  2    2   33.4207  2.682152   -0.0061 -0.000474
   34.8174 2.577562   1  3  3    2   34.8132  2.577864   -0.0042 -0.000302
   37.3483 2.408307   0  4  3    2   37.3448  2.408524   -0.0035 -0.000216
   39.8022 2.265147   1  2  7    2   39.7982  2.265365   -0.0040 -0.000218
   40.4253 2.231623   1  1  8    2   40.4292  2.231418    0.0039  0.000205
   41.6286 2.169790   1  3  6    2   41.6325  2.169598    0.0039  0.000192
   42.8148 2.112323   2  1  4    2   42.8142  2.112351   -0.0006 -0.000029
   50.1425 1.819199   1  5  3    2   50.1468  1.819052    0.0043  0.000147
   54.2846 1.689656   2  4  3    2   54.2868  1.689593    0.0022  0.000062
   56.5845 1.626263   0  6  4    2   56.5846  1.626260    0.0001  0.000003
   62.2514 1.491036   0  0 14    2   62.2510  1.491044   -0.0004 -0.000008
   62.5626 1.484360   0  6  7    2   62.5614  1.484387   -0.0012 -0.000027

 rmse = 0.00003102701
 
     A =     4.7416(3)         B =    10.2688(3)          C =    20.8746(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1016.41(6)