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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040179
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.9971 9.840481   0  1  0    2    9.0052  9.831616    0.0081  0.008865
   13.9017 6.373257   0  0  1    2   13.9017  6.373269    0.0000 -0.000011
   14.9515 5.927504   0 -1  1    2   14.9521  5.927275    0.0006  0.000230
   18.0462 4.916362   0  2  0    2   18.0482  4.915808    0.0020  0.000554
   18.7639 4.729722   1  1  0    2   18.7677  4.728782    0.0038  0.000940
   21.4806 4.136784  -1 -2  1    2   21.4803  4.136839   -0.0003 -0.000055
   22.5182 3.948306  -1  1  0    2   22.5257  3.947004    0.0075  0.001302
   22.8443 3.892631   1  2  0    2   22.8489  3.891860    0.0046  0.000771
   24.5592 3.624365  -1  1  1    2   24.5557  3.624873   -0.0035 -0.000508
   26.4339 3.371247   1  0  1    2   26.4257  3.372274   -0.0082 -0.001026
   27.4922 3.243743   1  1  1    2   27.4930  3.243656    0.0008  0.000088
   28.2257 3.161039  -1 -2  2    2   28.2266  3.160946    0.0009  0.000093
   28.9289 3.085732  -1  2  0    2   28.9202  3.086642   -0.0087 -0.000910
   34.7465 2.580983  -1 -4  1    2   34.7453  2.581066   -0.0012 -0.000084
   38.2757 2.350616   1  0  2    2   38.2772  2.350527    0.0015  0.000090
   45.1831 2.005869  -1  4  0    2   45.1866  2.005720    0.0035  0.000149
   56.0985 1.638578   0  6  0    2   56.0976  1.638603   -0.0009 -0.000025

 rmse = 0.00003334367
 
     A =     5.2293(9)         B =    10.5504(8)          C =     6.961(1)       
 Alpha =   106.85(2)        Beta =   110.75(1)        Gamma =    72.141(7)       
 
 Volume =    334.68(6)