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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060546
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.231
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.0347 4.715272   0  2  0    2   19.0310  4.716201   -0.0037 -0.000929
   22.4899 3.990529   1  1  0    2   22.4920  3.990165    0.0021  0.000364
   27.9344 3.217406   1  2  0    2   27.9234  3.218653   -0.0110 -0.001247
   35.2669 2.559026   1  3  0    2   35.2695  2.558840    0.0026  0.000186
   38.3587 2.358322   0  4  0    2   38.3624  2.358101    0.0037  0.000221
   39.0485 2.317986   1  1  1    2   39.0510  2.317842    0.0025  0.000144
   42.5759 2.132696   1  2  1    2   42.5757  2.132705   -0.0002 -0.000009
   43.7353 2.078508   1  4  0    2   43.7287  2.078808   -0.0066 -0.000300
   50.4151 1.816381   0  4  1    2   50.4207  1.816190    0.0056  0.000191
   53.6829 1.712784   2  1  1    2   53.6802  1.712864   -0.0027 -0.000079
   54.8492 1.678935   1  4  1    2   54.8471  1.678995   -0.0021 -0.000061
   56.4804 1.634053   2  2  1    2   56.4844  1.633947    0.0040  0.000106
   57.4188 1.609449   2  4  0    2   57.4235  1.609327    0.0047  0.000122
   58.9064 1.572140   0  6  0    2   58.9094  1.572067    0.0030  0.000073
   60.9663 1.523657   2  3  1    2   60.9671  1.523638    0.0008  0.000019
   62.9116 1.480966   1  5  1    2   62.9076  1.481051   -0.0040 -0.000085
   65.7427 1.423649   0  0  2    2   65.7366  1.423766   -0.0061 -0.000117
   68.3033 1.376198   0  6  1    2   68.2999  1.376259   -0.0034 -0.000061
   70.3501 1.340952   1  1  2    2   70.3498  1.340957   -0.0003 -0.000005
   71.0142 1.329991   3  3  0    2   71.0103  1.330055   -0.0039 -0.000064
   72.5934 1.304805   3  0  1    2   72.5992  1.304715    0.0058  0.000091
   73.6553 1.288535   1  7  0    2   73.6569  1.288511    0.0016  0.000024
   76.7266 1.244266   1  3  2    2   76.7355  1.244143    0.0089  0.000123
   79.6986 1.205028   3  3  1    2   79.6947  1.205078   -0.0039 -0.000049
   82.1860 1.174633   1  4  2    2   82.1829  1.174669   -0.0031 -0.000037
   89.7987 1.093474   4  1  0    2   89.7986  1.093474   -0.0001 -0.000001

 rmse = 0.00005468612
 
     A =     4.4035(1)         B =     9.4324(3)          C =     2.84753(8)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    118.276(4)