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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040033
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.063
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.0004 4.940892   0  1  1    2   18.0231  4.934704    0.0227  0.006188
   20.4584 4.350653   0  2  0    2   20.4633  4.349613    0.0049  0.001040
   27.5444 3.242845  -2  1  1    2   27.5323  3.244243   -0.0121 -0.001398
   29.8549 2.996402   0  0  2    2   29.8587  2.996031    0.0038  0.000371
   31.4632 2.846501  -2  0  2    2   31.4679  2.846085    0.0047  0.000416
   34.3813 2.610847   0  3  1    2   34.3905  2.610169    0.0092  0.000679
   34.6191 2.593423   2  2  0    2   34.6214  2.593259    0.0023  0.000164
   38.0664 2.365726   2  1  1    2   38.0804  2.364884    0.0140  0.000842
   39.4787 2.284153   1  3  1    2   39.4808  2.284035    0.0021  0.000118
   39.7149 2.271089  -3  1  1    2   39.7134  2.271171   -0.0015 -0.000082
   40.4522 2.231316  -2  3  1    2   40.4387  2.232032   -0.0135 -0.000716
   41.5566 2.174443   0  4  0    2   41.5493  2.174807   -0.0073 -0.000363
   42.9258 2.108101  -1  1  3    2   42.9232  2.108224   -0.0026 -0.000123
   43.4353 2.084510   1  2  2    2   43.4333  2.084600   -0.0020 -0.000090
   45.7785 1.982968  -3  2  2    2   45.7693  1.983346   -0.0092 -0.000378
   46.6776 1.946794   0  1  3    2   46.6800  1.946701    0.0024  0.000093
   50.6217 1.803785   2  4  0    2   50.6147  1.804018   -0.0070 -0.000233
   52.3432 1.748368  -4  0  2    2   52.3472  1.748244    0.0040  0.000124
   52.9994 1.728231  -2  4  2    2   53.0055  1.728047    0.0061  0.000184
   53.7638 1.705420   2  2  2    2   53.7701  1.705236    0.0063  0.000185
   55.9022 1.645070   0  3  3    2   55.9084  1.644901    0.0062  0.000169
   57.0363 1.614988   4  0  0    2   57.0332  1.615068   -0.0031 -0.000081
   59.3284 1.557880  -2  5  1    2   59.3377  1.557659    0.0093  0.000221
   60.4939 1.530593  -2  2  4    2   60.4843  1.530812   -0.0096 -0.000220
   64.2510 1.449767   0  6  0    2   64.2459  1.449871   -0.0051 -0.000104
   64.9796 1.435246   2  1  3    2   64.9764  1.435308   -0.0032 -0.000062
   69.8204 1.347011  -2  5  3    2   69.8228  1.346971    0.0024  0.000040
   73.0344 1.295405  -2  1  5    2   73.0298  1.295476   -0.0046 -0.000071
   74.3174 1.276166   4  3  1    2   74.3116  1.276250   -0.0058 -0.000085
   77.7018 1.228771   4  0  2    2   77.7060  1.228716    0.0042  0.000055
   84.5623 1.145628   2  2  4    2   84.5613  1.145639   -0.0010 -0.000011
   85.7629 1.132626  -4  3  5    2   85.7692  1.132560    0.0063  0.000067

 rmse = 0.00007587569
 
     A =7.0673(4)              B =8.6992(4)               C =6.5551(2)           
 Alpha =90                  Beta =113.920(3)          Gamma =90                  
 
 Volume = 368.39(2)