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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050589
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.5795 6.527724   2  2  0    2   13.5831  6.526005    0.0036  0.001720
   15.0774 5.881295   1  1  1    2   15.0806  5.880044    0.0032  0.001251
   19.0670 4.657054   0  4  0    2   19.0693  4.656495    0.0023  0.000559
   19.4165 4.573895   4  0  0    2   19.4170  4.573781    0.0005  0.000115
   20.2528 4.386631   1  3  1    2   20.2556  4.386037    0.0028  0.000594
   20.4173 4.351613   3  1  1    2   20.4204  4.350957    0.0031  0.000656
   21.4216 4.149565   2  4  0    2   21.4205  4.149779   -0.0011 -0.000213
   21.6504 4.106175   4  2  0    2   21.6546  4.105395    0.0042  0.000780
   27.3390 3.262508   4  4  0    2   27.3348  3.263002   -0.0042 -0.000494
   27.9478 3.192741   1  5  1    2   27.9479  3.192730    0.0001  0.000011
   28.3119 3.152465   5  1  1    2   28.3123  3.152422    0.0004  0.000043
   30.4007 2.940267   2  2  2    2   30.4033  2.940022    0.0026  0.000245
   30.8526 2.898187   6  2  0    2   30.8566  2.897819    0.0040  0.000368
   31.2424 2.862880   3  5  1    2   31.2415  2.862960   -0.0009 -0.000080
   31.4647 2.843142   5  3  1    2   31.4616  2.843413   -0.0031 -0.000272
   36.7507 2.445136   1  7  1    2   36.7529  2.444993    0.0022  0.000143
   37.3260 2.408734   7  1  1    2   37.3232  2.408906   -0.0028 -0.000172
   41.1502 2.193141   2  6  2    2   41.1526  2.193018    0.0024  0.000122
   49.9531 1.825129   2 10  0    2   49.9526  1.825147   -0.0005 -0.000018
   52.0786 1.755490   4  8  2    2   52.0784  1.755495   -0.0002 -0.000005
   53.8198 1.702704  10  4  0    2   53.8165  1.702799   -0.0033 -0.000095
   54.6039 1.680081   5  5  3    2   54.5999  1.680196   -0.0040 -0.000115
   65.9215 1.416285   9  9  1    2   65.9209  1.416296   -0.0006 -0.000012
   68.5308 1.368561  12  2  2    2   68.5343  1.368501    0.0035  0.000061
   73.2899 1.290960  13  5  1    2   73.2895  1.290966   -0.0004 -0.000006
   85.0285 1.140132   5 13  3    2   85.0292  1.140125    0.0007  0.000007

 rmse = 0.00002281424
 
     A =    18.2951(3)         B =    18.6259(4)          C =     6.5862(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2244.36(7)