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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070015
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.003
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.3699 7.147927   0  0  1    2   12.3683  7.148844   -0.0016 -0.000917
   13.8680 6.379111   0  1  1    2   13.8665  6.379813   -0.0015 -0.000702
   17.6282 5.026188   0  2  1    2   17.6258  5.026860   -0.0024 -0.000672
   21.6448 4.101828   1  1  1    2   21.6442  4.101936   -0.0006 -0.000108
   21.9587 4.043904  -2  2  1    2   21.9516  4.045194   -0.0071 -0.001289
   22.5801 3.934016   0  3  1    2   22.5744  3.935002   -0.0057 -0.000986
   25.1714 3.534634   0  4  0    2   25.1690  3.534960   -0.0024 -0.000327
   25.6784 3.465991   0  1  2    2   25.6828  3.465411    0.0044  0.000580
   26.1261 3.407610  -2  3  1    2   26.1261  3.407607    0.0000  0.000003
   27.5055 3.239788   1  4  0    2   27.5003  3.240394   -0.0052 -0.000606
   28.1370 3.168501   0  4  1    2   28.1349  3.168730   -0.0021 -0.000229
   30.6145 2.917521  -3  2  1    2   30.6185  2.917147    0.0040  0.000374
   30.8220 2.898353  -2  0  3    2   30.8207  2.898472   -0.0013 -0.000119
   31.3800 2.848080   0  3  2    2   31.3803  2.848051    0.0003  0.000028
   34.0668 2.629369   0  5  1    2   34.0625  2.629688   -0.0043 -0.000319
   35.6864 2.513671   0  4  2    2   35.6899  2.513430    0.0035  0.000241
   38.3530 2.344824   3  3  0    2   38.3567  2.344607    0.0037  0.000217
   40.2681 2.237621   2  4  1    2   40.2701  2.237514    0.0020  0.000107
   40.6739 2.216230  -4  2  3    2   40.6796  2.215935    0.0057  0.000295
   46.5643 1.948687   4  2  0    2   46.5680  1.948542    0.0037  0.000144
   50.0092 1.822230   0  5  3    2   50.0081  1.822267   -0.0011 -0.000037
   51.6662 1.767618   0  8  0    2   51.6705  1.767480    0.0043  0.000138
   54.7375 1.675480   0  6  3    2   54.7325  1.675620   -0.0050 -0.000140
   55.8782 1.643951  -6  0  3    2   55.8721  1.644116   -0.0061 -0.000165
   56.9461 1.615634  -5  1  5    2   56.9486  1.615569    0.0025  0.000065

 rmse = 0.00003585804
 
     A =9.8647(4)              B =14.1398(7)              C =8.6975(4)           
 Alpha =90                  Beta =124.721(4)          Gamma =90                  
 
 Volume = 997.16(6)