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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R061002
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.025
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.3415 9.485201   1  0  0    2    9.3427  9.484032    0.0012  0.001169
   14.6188 6.064851   0  0  1    2   14.6224  6.063350    0.0036  0.001500
   15.5324 5.709532   1  1  0    2   15.5367  5.707956    0.0043  0.001577
   18.7229 4.741843   2  0  0    2   18.7222  4.742016   -0.0007 -0.000172
   19.2052 4.623678   0  1  1    2   19.2051  4.623705   -0.0001 -0.000027
   19.7547 4.496121  -1  1  1    2   19.7562  4.495773    0.0015  0.000348
   22.5089 3.951192   2  1  0    2   22.5075  3.951428   -0.0014 -0.000236
   22.9109 3.882687   1  1  1    2   22.9069  3.883355   -0.0040 -0.000668
   24.9236 3.573193   0  2  0    2   24.9201  3.573682   -0.0035 -0.000489
   26.6565 3.344485   1  2  0    2   26.6592  3.344148    0.0027  0.000337
   28.2320 3.161154   3  0  0    2   28.2303  3.161344   -0.0017 -0.000190
   28.6645 3.114391  -1  0  2    2   28.6624  3.114619   -0.0021 -0.000228
   29.4647 3.031533   0  0  2    2   29.4633  3.031675   -0.0014 -0.000142
   30.9272 2.891310   3  1  0    2   30.9289  2.891159    0.0017  0.000151
   31.6315 2.828469   1  2  1    2   31.6368  2.828010    0.0053  0.000459
   32.0606 2.791555   0  1  2    2   32.0674  2.790981    0.0068  0.000575
   32.6723 2.740634  -2  2  1    2   32.6723  2.740633    0.0000  0.000000
   33.1271 2.704011   1  0  2    2   33.1255  2.704140   -0.0016 -0.000129
   35.7231 2.513095  -3  0  2    2   35.7251  2.512957    0.0020  0.000138
   37.2948 2.410645   3  1  1    2   37.2955  2.410599    0.0007  0.000046
   38.2134 2.354743  -3  2  1    2   38.2089  2.355012   -0.0045 -0.000269
   45.3053 2.001048  -4  2  1    2   45.3029  2.001147   -0.0024 -0.000100
   46.2221 1.963447   3  0  2    2   46.2194  1.963554   -0.0027 -0.000107
   47.7873 1.902692   3  3  0    2   47.7884  1.902652    0.0011  0.000040
   51.0987 1.786829   0  4  0    2   51.0983  1.786841   -0.0004 -0.000012
   58.3521 1.580708   6  0  0    2   58.3536  1.580672    0.0015  0.000036
   76.6039 1.243127   5  3  2    2   76.6040  1.243125    0.0001  0.000002

 rmse = 0.00002197241
 
     A =9.7746(3)              B =7.1474(2)               C =6.2491(3)           
 Alpha =90                  Beta =104.006(3)          Gamma =90                  
 
 Volume = 423.60(2)