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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050415
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.056
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.8802 8.995597   0  2  0    2    9.8887  8.987837    0.0085  0.007759
   10.5430 8.428505   1  1  0    2   10.5476  8.424831    0.0046  0.003674
   18.1785 4.890935  -1  1  1    2   18.1801  4.890504    0.0016  0.000431
   19.7901 4.495002   0  4  0    2   19.7949  4.493919    0.0048  0.001084
   22.3891 3.977431   1  1  1    2   22.3938  3.976608    0.0047  0.000823
   22.9845 3.875476  -1  3  1    2   22.9825  3.875811   -0.0020 -0.000335
   26.4665 3.371898   1  3  1    2   26.4730  3.371082    0.0065  0.000816
   27.2955 3.271132   2  4  0    2   27.3011  3.270472    0.0056  0.000660
   28.5479 3.130128   3  1  0    2   28.5447  3.130477   -0.0032 -0.000349
   31.9104 2.806972   3  3  0    2   31.8952  2.808277   -0.0152 -0.001305
   32.7008 2.740792  -3  3  1    2   32.6976  2.741051   -0.0032 -0.000259
   33.2494 2.696737   1  5  1    2   33.2501  2.696680    0.0007  0.000057
   34.7455 2.583780   0  6  1    2   34.7521  2.583303    0.0066  0.000477
   35.3447 2.541268  -2  0  2    2   35.3471  2.541103    0.0024  0.000165
   37.7996 2.381431   3  5  0    2   37.7982  2.381515   -0.0014 -0.000084
   41.9333 2.155420   2  6  1    2   41.9337  2.155401    0.0004  0.000018
   45.4106 1.997919   3  7  0    2   45.4173  1.997639    0.0067  0.000280
   47.9692 1.897030   5  1  0    2   47.9758  1.896785    0.0066  0.000245
   50.2011 1.817700   5  3  0    2   50.2052  1.817562    0.0041  0.000139
   50.8092 1.797339   0 10  0    2   50.8023  1.797567   -0.0069 -0.000228
   52.1197 1.755139  -5  1  2    2   52.1143  1.755308   -0.0054 -0.000170
   55.8269 1.646932   4  6  1    2   55.8209  1.647095   -0.0060 -0.000163
   56.2625 1.635197   4  8  0    2   56.2610  1.635236   -0.0015 -0.000039
   57.1950 1.610706   1 11  0    2   57.1961  1.610679    0.0011  0.000027
   58.0257 1.589586   6  0  0    2   58.0280  1.589528    0.0023  0.000058
   58.5294 1.577088  -1  5  3    2   58.5362  1.576920    0.0068  0.000168
   59.5907 1.551483   4  0  2    2   59.5840  1.551641   -0.0067 -0.000159
   60.0337 1.541078  -6  0  2    2   60.0264  1.541249   -0.0073 -0.000171
   64.6659 1.441323  -6  6  1    2   64.6651  1.441339   -0.0008 -0.000016
   71.8513 1.313710  -7  5  1    2   71.8581  1.313602    0.0068  0.000108

 rmse = 0.00005736115
 
     A =     9.8784(3)         B =    17.9756(9)          C =     5.2832(4)      
 Alpha =    90.             Beta =   105.104(4)       Gamma =    90.             
 
 Volume =    905.74(7)