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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050141
 
 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
   12.1033 7.326284   1  1  0    2   12.1125  7.320699    0.0092  0.005585
   12.7376 6.961898   2  0  0    2   12.7475  6.956513    0.0099  0.005385
   17.8249 4.981080   0  0  2    2   17.8312  4.979324    0.0063  0.001756
   21.7920 4.081069   3  1  0    2   21.7821  4.082908   -0.0099 -0.001839
   22.5181 3.950896   0  2  1    2   22.5169  3.951111   -0.0012 -0.000215
   29.0975 3.069757  -1  1  3    2   29.0976  3.069742    0.0001  0.000015
   29.7192 3.006869  -2  2  2    2   29.7166  3.007124   -0.0026 -0.000255
   30.9002 2.894463   2  2  2    2   30.8993  2.894544   -0.0009 -0.000081
   31.8491 2.810269   1  3  0    2   31.8471  2.810438   -0.0020 -0.000169
   32.5100 2.754574   4  0  2    2   32.5057  2.754928   -0.0043 -0.000354
   32.9901 2.715535  -1  3  1    2   32.9880  2.715704   -0.0021 -0.000169
   34.1155 2.628399   0  2  3    2   34.1121  2.628650   -0.0034 -0.000251
   34.4222 2.605656  -5  1  1    2   34.4172  2.606020   -0.0050 -0.000364
   38.3271 2.348457   3  3  1    2   38.3260  2.348523   -0.0011 -0.000066
   39.3402 2.290230   2  0  4    2   39.3523  2.289552    0.0121  0.000677
   44.8042 2.022591  -2  4  1    2   44.8042  2.022589    0.0000  0.000002
   45.3242 2.000570   5  1  3    2   45.3221  2.000658   -0.0021 -0.000088
   49.1894 1.851924  -7  1  2    2   49.1928  1.851804    0.0034  0.000120
   50.3165 1.813023  -4  4  1    2   50.3186  1.812954    0.0021  0.000069
   54.5406 1.682080  -8  0  2    2   54.5395  1.682111   -0.0011 -0.000031
   54.9020 1.671852   5  3  3    2   54.9030  1.671826    0.0010  0.000027
   55.6914 1.649996  -5  1  5    2   55.6921  1.649976    0.0007  0.000020
   71.4459 1.319803  -4  6  1    2   71.4473  1.319780    0.0014  0.000023
   80.9732 1.186779   0  4  7    2   80.9709  1.186807   -0.0023 -0.000028

 rmse = 0.00003693442
 
     A =    13.9533(6)         B =     8.6087(3)          C =     9.9874(3)      
 Alpha =    90.             Beta =    94.355(4)       Gamma =    90.             
 
 Volume =   1196.24(5)