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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050174
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.074
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.1260 4.424425   1  1  0    2   20.1249  4.424659   -0.0011 -0.000234
   20.9669 4.248213   0  2  0    2   20.9686  4.247876    0.0017  0.000337
   24.8499 3.590514   1  1  1    2   24.8499  3.590510    0.0000  0.000004
   25.5457 3.493989   0  2  1    2   25.5449  3.494093   -0.0008 -0.000104
   29.1109 3.072594   0  0  2    2   29.1162  3.072045    0.0053  0.000548
   30.9993 2.889141   0  1  2    2   31.0011  2.888975    0.0018  0.000166
   33.9698 2.642434   1  0  2    2   33.9660  2.642723   -0.0038 -0.000288
   34.6592 2.591324   2  0  0    2   34.6562  2.591540   -0.0030 -0.000217
   35.6222 2.523301   1  1  2    2   35.6200  2.523455   -0.0022 -0.000154
   40.8248 2.212359   2  2  0    2   40.8254  2.212330    0.0006  0.000029
   43.5145 2.081405   2  2  1    2   43.5123  2.081504   -0.0022 -0.000098
   45.2049 2.007295   0  4  1    2   45.2029  2.007381   -0.0020 -0.000085
   45.8458 1.980669   2  0  2    2   45.8414  1.980850   -0.0044 -0.000182
   47.0613 1.932226   1  3  2    2   47.0642  1.932112    0.0029  0.000113
   49.0443 1.858519   1  1  3    2   49.0424  1.858587   -0.0019 -0.000068
   49.4278 1.844971   0  2  3    2   49.4324  1.844810    0.0046  0.000161
   50.8909 1.795232   2  2  2    2   50.8902  1.795255   -0.0007 -0.000023
   56.3888 1.632306   3  1  1    2   56.3925  1.632206    0.0037  0.000099
   58.1466 1.587011   2  4  1    2   58.1479  1.586979    0.0013  0.000032
   59.1804 1.561696   1  5  1    2   59.1851  1.561583    0.0047  0.000113
   61.7436 1.502792   2  2  3    2   61.7384  1.502907   -0.0052 -0.000115
   70.8781 1.329647   3  3  2    2   70.8814  1.329593    0.0033  0.000055
   74.8901 1.267974   1  5  3    2   74.8914  1.267955    0.0013  0.000019
   76.6967 1.242516   2  6  0    2   76.6919  1.242581   -0.0048 -0.000065

 rmse = 0.00003691106
 
     A =     5.1830(2)         B =     8.4957(2)          C =     6.1440(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    270.54(1)