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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050513
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.8679 5.939974   1  1  1    2   14.8685  5.939737    0.0006  0.000237
   16.5572 5.338781   0  2  0    2   16.5563  5.339074   -0.0009 -0.000293
   17.3221 5.105180   2  0  0    2   17.3233  5.104838    0.0012  0.000342
   18.7850 4.711497   0  2  1    2   18.7877  4.710836    0.0027  0.000661
   19.2210 4.605784   2  1  0    2   19.2218  4.605602    0.0008  0.000183
   19.7033 4.494312   1  0  2    2   19.7050  4.493939    0.0017  0.000374
   21.3980 4.142607   1  1  2    2   21.4008  4.142068    0.0028  0.000539
   24.0737 3.688537   2  2  0    2   24.0660  3.689695   -0.0077 -0.001158
   24.3155 3.652453   0  2  2    2   24.3226  3.651405    0.0071  0.001048
   24.8595 3.573855   2  0  2    2   24.8600  3.573790    0.0005  0.000065
   25.6784 3.461859   2  2  1    2   25.6774  3.461986   -0.0010 -0.000126
   27.9429 3.186582   1  3  1    2   27.9466  3.186173    0.0037  0.000409
   28.8916 3.084190   3  1  1    2   28.8866  3.084714   -0.0050 -0.000524
   29.3188 3.040267   1  1  3    2   29.3191  3.040239    0.0003  0.000028
   32.0231 2.789696   1  3  2    2   32.0170  2.790211   -0.0061 -0.000515
   32.8553 2.720985   3  1  2    2   32.8512  2.721313   -0.0041 -0.000328
   33.5019 2.669985   0  4  0    2   33.5077  2.669537    0.0058  0.000448
   34.7214 2.579042   0  4  1    2   34.7167  2.579382   -0.0047 -0.000340
   35.5299 2.522241   2  3  2    2   35.5343  2.521942    0.0044  0.000300
   36.9195 2.430523   1  0  4    2   36.9201  2.430483    0.0006  0.000040
   37.2528 2.409558   4  1  1    2   37.2539  2.409488    0.0011  0.000070
   37.5922 2.388600   3  3  1    2   37.5901  2.388728   -0.0021 -0.000128
   41.4330 2.175801   3  2  3    2   41.4345  2.175725    0.0015  0.000076
   43.1724 2.092151   4  2  2    2   43.1761  2.091982    0.0037  0.000169
   43.6376 2.070937   2  2  4    2   43.6355  2.071034   -0.0021 -0.000097
   44.2823 2.042294   1  4  3    2   44.2813  2.042340   -0.0010 -0.000045

 rmse = 0.00002766249
 
     A =    10.2096(5)         B =    10.6781(5)          C =    10.0096(5)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1091.26(7)