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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040084
 
 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
   10.4921 8.448592   1  1  0    2   10.4920  8.448635   -0.0001 -0.000043
   18.0796 4.910552   3  1  0    2   18.0770  4.911246   -0.0026 -0.000694
   18.2640 4.861305   0  2  0    2   18.2638  4.861363   -0.0002 -0.000058
   19.0173 4.670104   0  0  2    2   19.0094  4.672025   -0.0079 -0.001921
   21.7451 4.089228   1  1  2    2   21.7489  4.088527    0.0038  0.000701
   28.4949 3.133047   2  2  2    2   28.4916  3.133401   -0.0033 -0.000354
   29.6502 3.013423   1  3  1    2   29.6457  3.013869   -0.0045 -0.000446
   36.5873 2.455947   6  2  0    2   36.5923  2.455623    0.0050  0.000324
   36.9742 2.431111   0  4  0    2   36.9810  2.430681    0.0068  0.000429
   38.5384 2.335882   0  0  4    2   38.5362  2.336012   -0.0022 -0.000131
   41.5442 2.173434   6  2  2    2   41.5396  2.173665   -0.0046 -0.000231
   41.8914 2.156207   0  4  2    2   41.8893  2.156309   -0.0021 -0.000103
   43.2711 2.090551   2  4  2    2   43.2693  2.090634   -0.0018 -0.000084
   47.2145 1.924618   4  4  2    2   47.2145  1.924617    0.0000  0.000000
   47.5252 1.912750   8  2  1    2   47.5282  1.912635    0.0030  0.000114
   48.9149 1.861574   9  1  0    2   48.9094  1.861771   -0.0055 -0.000197
   49.2978 1.847998   6  4  0    2   49.2942  1.848125   -0.0036 -0.000127
   49.9312 1.826015   9  1  1    2   49.9351  1.825881    0.0039  0.000135
   50.7624 1.798031   3  3  4    2   50.7642  1.797970    0.0018  0.000060
   53.6663 1.707332  10  0  0    2   53.6713  1.707185    0.0050  0.000147
   54.4491 1.684608   0  4  4    2   54.4604  1.684284    0.0113  0.000324
   58.9300 1.566681   4  4  4    2   58.9292  1.566700   -0.0008 -0.000019
   59.3212 1.557274   0  0  6    2   59.3184  1.557342   -0.0028 -0.000067
   59.8478 1.544817   9  3  2    2   59.8408  1.544980   -0.0070 -0.000163
   60.8017 1.522833  10  2  2    2   60.8036  1.522789    0.0019  0.000044
   70.4794 1.335474   3  7  1    2   70.4781  1.335496   -0.0013 -0.000022

 rmse = 0.00004803072
 
     A =    17.0718(6)         B =     9.7227(4)          C =     9.3440(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1550.97(8)