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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050157
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.004
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.5328 7.668961   0  0  1    2   11.5235  7.675106   -0.0093 -0.006145
   11.7095 7.553592   1  1  0    2   11.7092  7.553774   -0.0003 -0.000182
   14.6873 6.027764   0  2  0    2   14.6841  6.029090   -0.0032 -0.001327
   17.3021 5.122061   1  2  0    2   17.3117  5.119237    0.0096  0.002824
   18.3030 4.844099   2  0  0    2   18.2978  4.845477   -0.0052 -0.001378
   18.9078 4.690464   1  1  1    2   18.9027  4.691709   -0.0051 -0.001246
   19.7420 4.494073   2  1  0    2   19.7332  4.496052   -0.0088 -0.001979
   22.4059 3.965333  -1  1  2    2   22.4015  3.966107   -0.0044 -0.000775
   22.7016 3.914338  -2  2  1    2   22.6939  3.915643   -0.0077 -0.001305
   22.9641 3.870177  -2  0  2    2   22.9675  3.869610    0.0034  0.000566
   23.1628 3.837419   0  0  2    2   23.1620  3.837553   -0.0008 -0.000134
   23.5391 3.776909   2  2  0    2   23.5392  3.776887    0.0001  0.000022
   23.9435 3.714016   1  3  0    2   23.9520  3.712721    0.0085  0.001294
   24.9869 3.561217   0  3  1    2   24.9907  3.560677    0.0038  0.000540
   25.8385 3.445726  -1  2  2    2   25.8355  3.446114   -0.0030 -0.000388
   28.5847 3.120581   3  1  0    2   28.5874  3.120290    0.0027  0.000291
   29.6070 3.015103   0  4  0    2   29.6126  3.014545    0.0056  0.000557
   31.9872 2.795943   1  2  2    2   31.9867  2.795982   -0.0005 -0.000040
   32.2288 2.775530  -2  0  3    2   32.2283  2.775573   -0.0005 -0.000043
   33.0958 2.704767  -2  1  3    2   33.0949  2.704842   -0.0009 -0.000075
   34.4492 2.601528  -2  4  1    2   34.4489  2.601548   -0.0003 -0.000020
   38.4389 2.340161   1  5  0    2   38.4372  2.340260   -0.0017 -0.000100
   40.0786 2.248110   4  2  0    2   40.0802  2.248026    0.0016  0.000084
   41.9703 2.151044   2  3  2    2   41.9685  2.151130   -0.0018 -0.000087
   43.7222 2.068822  -2  1  4    2   43.7236  2.068757    0.0014  0.000065
   46.0736 1.968552   1  3  3    2   46.0794  1.968317    0.0058  0.000235
   55.7353 1.648003   1  5  3    2   55.7315  1.648105   -0.0038 -0.000103

 rmse = 0.00003031002
 
     A =    10.6063(9)         B =    12.0581(7)          C =     8.4001(4)      
 Alpha =    90.             Beta =   113.979(6)       Gamma =    90.             
 
 Volume =    981.59(8)