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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060578
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.0146 8.050102   2  0  0    2   11.0284  8.040015    0.0138  0.010088
   14.0897 6.295183   1  1  0    2   14.1001  6.290536    0.0104  0.004647
   15.8149 5.610693   1  1  1    2   15.8176  5.609750    0.0027  0.000943
   18.0853 4.909839   2  0  2    2   18.0877  4.909200    0.0024  0.000639
   18.9193 4.694864   1  1  2    2   18.9286  4.692571    0.0093  0.002293
   21.2347 4.187086   0  0  4    2   21.2347  4.187091    0.0000 -0.000004
   23.6504 3.763993  -1  1  4    2   23.6442  3.764965   -0.0062 -0.000971
   23.8706 3.729719  -4  0  4    2   23.8669  3.730295   -0.0037 -0.000576
   26.4673 3.368936   3  1  2    2   26.4686  3.368777    0.0013  0.000159
   28.1811 3.167591   4  0  2    2   28.1814  3.167563    0.0003  0.000028
   29.4310 3.035698  -2  0  6    2   29.4316  3.035636    0.0006  0.000062
   29.7100 3.007790   2  2  1    2   29.7093  3.007858   -0.0007 -0.000068
   30.7279 2.910326   5  1  0    2   30.7314  2.910000    0.0035  0.000327
   31.7335 2.820261  -6  0  4    2   31.7285  2.820693   -0.0050 -0.000432
   32.4924 2.756035  -3  1  6    2   32.4874  2.756450   -0.0050 -0.000415
   32.7479 2.735092  -5  1  5    2   32.7498  2.734940    0.0019  0.000153
   33.0313 2.712247  -1  1  6    2   33.0346  2.711985    0.0033  0.000262
   33.4390 2.680071   6  0  0    2   33.4399  2.680005    0.0009  0.000067
   33.8565 2.647939   0  2  4    2   33.8605  2.647633    0.0040  0.000305
   37.9407 2.371508  -4  2  5    2   37.9398  2.371559   -0.0009 -0.000051
   39.7116 2.269650  -2  2  6    2   39.7124  2.269609    0.0008  0.000041
   46.3181 1.959903   0  2  7    2   46.3147  1.960039   -0.0034 -0.000136
   46.7860 1.941372   1  3  4    2   46.7838  1.941460   -0.0022 -0.000088
   50.8184 1.796281   6  2  3    2   50.8134  1.796446   -0.0050 -0.000165
   55.6995 1.649778   2  4  1    2   55.6968  1.649852   -0.0027 -0.000074
   62.6382 1.482570  -5  1 12    2   62.6409  1.482514    0.0027  0.000057
   63.6385 1.461643  -6  4  4    2   63.6437  1.461537    0.0052  0.000107
   74.0585 1.279552 -12  2  1    2   74.0602  1.279526    0.0017  0.000026
   77.3894 1.232557 -11  3  9    2   77.3870  1.232589   -0.0024 -0.000032

 rmse = 0.00003274679
 
     A =    17.5117(5)         B =     6.8352(2)          C =    18.2395(6)      
 Alpha =    90.             Beta =   113.329(3)       Gamma =    90.             
 
 Volume =   2004.73(8)