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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060630
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.2589 4.386144   0  2  0    2   20.2619  4.385505    0.0030  0.000639
   27.0788 3.293752   1  2  1    2   27.0878  3.292681    0.0090  0.001070
   28.2580 3.158781   4  2  0    2   28.2587  3.158706    0.0007  0.000076
   30.4922 2.932005   3  2  1    2   30.4959  2.931660    0.0037  0.000345
   31.1779 2.869004   6  1  0    2   31.1819  2.868648    0.0040  0.000357
   31.7137 2.821699   5  1  1    2   31.7124  2.821810   -0.0013 -0.000111
   33.2214 2.696890   4  2  1    2   33.2167  2.697261   -0.0047 -0.000371
   35.6024 2.521644   1  3  1    2   35.5983  2.521928   -0.0041 -0.000284
   36.0362 2.492252   2  0  2    2   36.0325  2.492498   -0.0037 -0.000246
   36.4515 2.464781   5  2  1    2   36.4490  2.464946   -0.0025 -0.000164
   38.3193 2.348733   3  3  1    2   38.3273  2.348263    0.0080  0.000470
   39.5932 2.275992   8  0  0    2   39.5804  2.276696   -0.0128 -0.000705
   40.1098 2.247839   7  1  1    2   40.1122  2.247707    0.0024  0.000132
   43.3441 2.087189   5  3  1    2   43.3468  2.087065    0.0027  0.000123
   45.1659 2.007087   1  4  1    2   45.1643  2.007155   -0.0016 -0.000068
   46.5402 1.950931   6  3  1    2   46.5404  1.950924    0.0002  0.000007
   48.3237 1.882966   8  2  1    2   48.3332  1.882618    0.0095  0.000349
   51.2091 1.783376  10  1  0    2   51.2110  1.783313    0.0019  0.000062
   51.7477 1.766062   5  4  1    2   51.7434  1.766201   -0.0043 -0.000138
   53.1632 1.722301   2  5  0    2   53.1554  1.722536   -0.0078 -0.000235
   63.6212 1.461933   0  6  0    2   63.6260  1.461835    0.0048  0.000098
   67.4393 1.388110  11  3  1    2   67.4381  1.388132   -0.0012 -0.000023

 rmse = 0.00005499877
 
     A =18.2136(9)             B =8.7710(4)               C =5.1829(8)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 828.0(0)