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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040184
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.069
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.8558 5.985882   0  1  1    2   14.8624  5.983224    0.0066  0.002658
   16.1103 5.520478   0  2  0    2   16.1061  5.521903   -0.0042 -0.001426
   17.9423 4.958553   1  0  0    2   17.9496  4.956553    0.0073  0.002000
   23.3530 3.817099   1  1  1    2   23.3539  3.816959    0.0009  0.000140
   25.0642 3.559519   0  0  2    2   25.0664  3.559216    0.0022  0.000303
   27.3275 3.268891   0  3  1    2   27.3190  3.269895   -0.0085 -0.001004
   29.9180 2.990830   0  2  2    2   29.9100  2.991612   -0.0080 -0.000782
   30.9733 2.891065   1  0  2    2   30.9734  2.891052    0.0001  0.000013
   32.4758 2.760373   0  4  0    2   32.4688  2.760952   -0.0070 -0.000579
   32.8542 2.729372   1  3  1    2   32.8533  2.729447   -0.0009 -0.000075
   35.0698 2.561507   1  2  2    2   35.0735  2.561247    0.0037  0.000260
   36.2847 2.478316   2  0  0    2   36.2853  2.478277    0.0006  0.000040
   37.3156 2.412056   1  4  0    2   37.3166  2.411994    0.0010  0.000062
   38.8581 2.319614   0  1  3    2   38.8537  2.319870   -0.0044 -0.000256
   39.3860 2.289677   2  1  1    2   39.3867  2.289637    0.0007  0.000040
   41.4249 2.181380   0  4  2    2   41.4218  2.181538   -0.0031 -0.000158
   42.9014 2.109541   0  5  1    2   42.9014  2.109543    0.0000 -0.000002
   44.5770 2.033935   2  0  2    2   44.5798  2.033814    0.0028  0.000121
   46.8367 1.940789   1  5  1    2   46.8300  1.941053   -0.0067 -0.000264
   47.6748 1.908559   2  2  2    2   47.6769  1.908479    0.0021  0.000079
   49.4364 1.844498   2  4  0    2   49.4428  1.844272    0.0064  0.000226
   51.3644 1.779606   0  0  4    2   51.3643  1.779608   -0.0001 -0.000002
   53.0939 1.725564   1  6  0    2   53.0960  1.725499    0.0021  0.000065
   54.1657 1.693880   0  2  4    2   54.1679  1.693816    0.0022  0.000063
   54.8265 1.674990   1  0  4    2   54.8289  1.674922    0.0024  0.000068
   56.9741 1.616769   0  5  3    2   56.9761  1.616718    0.0020  0.000052
   60.0787 1.540332   0  7  1    2   60.0797  1.540309    0.0010  0.000023
   65.1440 1.432141   1  4  4    2   65.1503  1.432018    0.0063  0.000123
   66.9197 1.398346   2  2  4    2   66.9166  1.398404   -0.0031 -0.000058
   69.4183 1.353943   2  5  3    2   69.4110  1.354067   -0.0073 -0.000125
   76.4541 1.245790   1  8  2    2   76.4574  1.245743    0.0033  0.000046
   85.3776 1.136821   2  6  4    2   85.3750  1.136850   -0.0026 -0.000028

 rmse = 0.00004278166
 
     A =     4.9565(3)         B =    11.0438(3)          C =     7.1184(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    389.65(2)