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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060417
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.023
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.6315 4.764381   1  0  1    2   18.6386  4.762578    0.0071  0.001802
   28.7347 3.106706   1  1  2    2   28.7376  3.106404    0.0029  0.000302
   29.0521 3.073455   1  0  3    2   29.0581  3.072836    0.0060  0.000619
   31.4495 2.844244   0  0  4    2   31.4526  2.843972    0.0031  0.000272
   34.1866 2.622370   2  0  0    2   34.1896  2.622146    0.0030  0.000224
   39.2078 2.297120   2  1  1    2   39.2098  2.297010    0.0020  0.000110
   39.9399 2.256661   1  1  4    2   39.9390  2.256712   -0.0009 -0.000051
   43.3345 2.087329   1  0  5    2   43.3369  2.087217    0.0024  0.000112
   45.4572 1.994620   1  2  3    2   45.4569  1.994634   -0.0003 -0.000014
   47.1259 1.927773   2  0  4    2   47.1253  1.927795   -0.0006 -0.000023
   49.1187 1.854083   2  2  0    2   49.1172  1.854137   -0.0015 -0.000054
   52.9763 1.727741   3  0  1    2   52.9738  1.727817   -0.0025 -0.000075
   54.3191 1.688141   1  1  6    2   54.3195  1.688129    0.0004  0.000012
   56.3113 1.633025   1  2  5    2   56.3112  1.633028   -0.0001 -0.000002
   57.8931 1.592095   3  1  2    2   57.8929  1.592100   -0.0002 -0.000005
   59.4928 1.553030   2  2  4    2   59.4856  1.553202   -0.0072 -0.000172
   64.5624 1.442735   3  2  1    2   64.5611  1.442760   -0.0013 -0.000025
   65.6231 1.421951   0  0  8    2   65.6213  1.421986   -0.0018 -0.000035
   67.5358 1.386242   3  0  5    2   67.5390  1.386184    0.0032  0.000058
   69.1378 1.357970   2  3  3    2   69.1344  1.358028   -0.0034 -0.000059
   70.4543 1.335777   1  2  7    2   70.4540  1.335781   -0.0003 -0.000004
   71.9816 1.311136   4  0  0    2   71.9856  1.311073    0.0040  0.000063
   75.1117 1.264054   1  4  1    2   75.1119  1.264051    0.0002  0.000002
   77.6651 1.228737   1  0  9    2   77.6604  1.228800   -0.0047 -0.000063
   79.2643 1.207905   3  3  2    2   79.2649  1.207898    0.0006  0.000007
   82.1477 1.172639   4  2  0    2   82.1459  1.172659   -0.0018 -0.000021
   86.1195 1.128431   2  2  8    2   86.1266  1.128356    0.0071  0.000075

 rmse = 0.00003973613
 
     A =5.24429(6)             B =5.24429(6)              C =11.3759(2)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 312.867(8)