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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040045
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.8306 9.028727   0  2  0    2    9.8306  9.028762    0.0000 -0.000035
   10.5332 8.425572   1  1  0    2   10.5400  8.420107    0.0068  0.005465
   18.2178 4.876856  -1  1  1    2   18.2134  4.878020   -0.0044 -0.001164
   18.6746 4.758309   2  0  0    2   18.6714  4.759112   -0.0032 -0.000803
   19.7068 4.510808   0  4  0    2   19.6911  4.514381   -0.0157 -0.003573
   21.1237 4.210723   2  2  0    2   21.1271  4.210054    0.0034  0.000669
   27.2431 3.275726   2  4  0    2   27.2471  3.275251    0.0040  0.000475
   28.5845 3.124752   3  1  0    2   28.5834  3.124874   -0.0011 -0.000122
   31.9037 2.806392   3  3  0    2   31.9001  2.806702   -0.0036 -0.000311
   32.7924 2.732239  -3  3  1    2   32.7861  2.732752   -0.0063 -0.000513
   33.1316 2.705002   1  5  1    2   33.1214  2.705809   -0.0102 -0.000808
   34.6221 2.591742   0  6  1    2   34.6138  2.592346   -0.0083 -0.000604
   35.4330 2.534194  -2  0  2    2   35.4475  2.533190    0.0145  0.001004
   36.5921 2.456443   0  2  2    2   36.6081  2.455401    0.0160  0.001041
   37.7557 2.383283   3  5  0    2   37.7508  2.383581   -0.0049 -0.000298
   38.5123 2.338133  -3  5  1    2   38.5182  2.337786    0.0059  0.000347
   38.7794 2.322623  -4  2  1    2   38.7780  2.322701   -0.0014 -0.000078
   45.3041 2.001809   3  7  0    2   45.3104  2.001546    0.0063  0.000263
   54.9284 1.671377   0  2  3    2   54.9192  1.671637   -0.0092 -0.000260
   55.6977 1.650083   4  6  1    2   55.7021  1.649963    0.0044  0.000119
   58.4990 1.577504  -1  5  3    2   58.5007  1.577462    0.0017  0.000042
   60.3482 1.533479  -6  0  2    2   60.3458  1.533535   -0.0024 -0.000056

 rmse = 0.00006824809
 
     A =9.8423(8)              B =18.058(3)               C =5.2769(4)           
 Alpha =90                  Beta =104.74(1)           Gamma =90                  
 
 Volume = 907.0(0)