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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050468
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.031
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.0157 9.834181   0  1  0    2    9.0184  9.831193    0.0027  0.002988
   13.8987 6.380499   0  0  1    2   13.9075  6.376454    0.0088  0.004046
   14.9511 5.932733   0 -1  1    2   14.9564  5.930655    0.0053  0.002077
   18.0521 4.918239   0  2  0    2   18.0619  4.915596    0.0098  0.002643
   18.5376 4.790295  -1 -1  1    2   18.5379  4.790225    0.0003  0.000071
   18.7715 4.731032   1  1  0    2   18.7657  4.732485   -0.0058 -0.001453
   21.4721 4.140852  -1 -2  1    2   21.4797  4.139408    0.0076  0.001444
   22.5246 3.949421  -1  1  0    2   22.5309  3.948335    0.0063  0.001085
   22.8559 3.892839   1  2  0    2   22.8476  3.894238   -0.0083 -0.001399
   24.5686 3.624865  -1  1  1    2   24.5671  3.625086   -0.0015 -0.000221
   28.2205 3.163020  -1 -2  2    2   28.2230  3.162741    0.0025  0.000280
   28.9177 3.088245  -1  2  0    2   28.9292  3.087043    0.0115  0.001202
   29.3482 3.043869   1  3  0    2   29.3472  3.043967   -0.0010 -0.000098
   31.4320 2.846464  -1  2  1    2   31.4284  2.846781   -0.0036 -0.000316
   33.1900 2.699460   0  3  1    2   33.1916  2.699337    0.0016  0.000123
   34.7557 2.581245  -1 -4  1    2   34.7455  2.581978   -0.0102 -0.000733
   36.2082 2.480871  -2  0  1    2   36.2100  2.480751    0.0018  0.000119
   36.3892 2.468934   0 -4  1    2   36.3944  2.468595    0.0052  0.000339
   37.7582 2.382431   2  0  0    2   37.7611  2.382254    0.0029  0.000177
   38.2728 2.351548   1  0  2    2   38.2619  2.352192   -0.0109 -0.000645
   41.9362 2.154052   1 -2  2    2   41.9425  2.153741    0.0063  0.000310
   45.2091 2.005315  -1  4  0    2   45.2004  2.005679   -0.0087 -0.000364
   50.3322 1.812427  -2  2  2    2   50.3287  1.812543   -0.0035 -0.000117
   50.6353 1.802280  -1  2  3    2   50.6370  1.802222    0.0017  0.000057
   52.6229 1.738749  -1 -2  4    2   52.6219  1.738780   -0.0010 -0.000031
   56.4334 1.629983  -3 -4  2    2   56.4346  1.629950    0.0012  0.000032
   69.6293 1.349708   0  6  2    2   69.6316  1.349668    0.0023  0.000039
   75.8778 1.253288   1 -6  3    2   75.8779  1.253286    0.0001  0.000002

 rmse = 0.00004893244
 
     A =5.2329(3)              B =10.5526(7)              C =6.9649(4)           
 Alpha =106.881(5)          Beta =110.742(7)          Gamma =72.113(5)           
 
 Volume = 335.09(3)