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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060300
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.047
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.9320 3.439214   0  0  4    2   25.9286  3.439665   -0.0034 -0.000451
   29.3733 3.042992   2  0  4    2   29.3703  3.043297   -0.0030 -0.000305
   31.8711 2.809620   3  3  2    2   31.8683  2.809859   -0.0028 -0.000240
   39.0290 2.308609   4  4  0    2   39.0263  2.308763   -0.0027 -0.000153
   36.1002 2.489149   2  1  5    2   36.0979  2.489303   -0.0023 -0.000153
   31.4944 2.842411   3  2  3    2   31.4924  2.842591   -0.0020 -0.000180
   41.7610 2.163505   2  0  6    2   41.7593  2.163590   -0.0017 -0.000085
   30.6354 2.920249   4  2  0    2   30.6340  2.920380   -0.0014 -0.000131
   27.3398 3.264925   4  0  0    2   27.3384  3.265084   -0.0014 -0.000159
   16.1004 5.516529   1  1  2    2   16.0993  5.516900   -0.0011 -0.000371
   25.1771 3.540792   3  1  2    2   25.1761  3.540926   -0.0010 -0.000134
   25.4537 3.502866   3  2  1    2   25.4533  3.502920   -0.0004 -0.000054
   38.0117 2.368100   4  0  4    2   38.0121  2.368077    0.0004  0.000023
   16.5207 5.376715   1  2  1    2   16.5218  5.376369    0.0011  0.000346
   24.7059 3.607375   1  2  3    2   24.7077  3.607113    0.0018  0.000262
    9.3743 9.474192   1  0  1    2    9.3762  9.472307    0.0019  0.001885
   42.4511 2.129878   3  5  2    2   42.4530  2.129785    0.0019  0.000093
   28.9456 3.087049   1  4  1    2   28.9475  3.086845    0.0019  0.000204
   30.3204 2.949914   4  0  2    2   30.3226  2.949708    0.0022  0.000205
   33.9327 2.643247   3  1  4    2   33.9351  2.643064    0.0024  0.000183
   18.7645 4.736910   2  0  2    2   18.7675  4.736154    0.0030  0.000756
   41.2060 2.191388   3  2  5    2   41.2102  2.191176    0.0042  0.000212
   20.5470 4.328869   1  0  3    2   20.5551  4.327179    0.0081  0.001690

 rmse = 0.00001972053
 
     A =13.0603(3)             B =13.0603(3)              C =13.7587(4)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 2346.8(1)