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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050267
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.058
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.5209 4.556941   1  1  0    2   19.5220  4.556687    0.0011  0.000254
   20.0223 4.443614   0  2  0    2   20.0324  4.441385    0.0101  0.002229
   23.9943 3.714486   1  1  1    2   23.9898  3.715172   -0.0045 -0.000685
   27.8272 3.209888   0  0  2    2   27.8418  3.208231    0.0146  0.001657
   29.6355 3.017632   0  1  2    2   29.6373  3.017453    0.0018  0.000179
   32.6413 2.745797   1  0  2    2   32.6422  2.745722    0.0009  0.000075
   34.2189 2.622516   1  1  2    2   34.2089  2.623258   -0.0100 -0.000742
   34.5204 2.600260   0  2  2    2   34.5145  2.600689   -0.0059 -0.000429
   34.7228 2.585540   1  3  0    2   34.7184  2.585860   -0.0044 -0.000320
   39.5811 2.278193   2  2  0    2   39.5784  2.278344   -0.0027 -0.000150
   40.6438 2.220960   0  4  0    2   40.6489  2.220693    0.0051  0.000267
   42.1245 2.146145   2  2  1    2   42.1067  2.147012   -0.0178 -0.000867
   43.1389 2.097932   0  4  1    2   43.1253  2.098563   -0.0136 -0.000631
   44.3142 2.044907   2  0  2    2   44.3110  2.045046   -0.0032 -0.000139
   45.0363 2.013741   1  3  2    2   45.0466  2.013303    0.0103  0.000438
   49.0469 1.857849   2  2  2    2   49.0543  1.857586    0.0074  0.000263
   55.8556 1.646198   2  4  1    2   55.8566  1.646171    0.0010  0.000027
   56.4793 1.629471   1  5  1    2   56.4790  1.629479   -0.0003 -0.000008
   59.2515 1.559601   2  2  3    2   59.2612  1.559367    0.0097  0.000233
   70.6956 1.332369   2  4  3    2   70.6968  1.332349    0.0012  0.000020
   71.9868 1.311594   2  2  4    2   71.9846  1.311629   -0.0022 -0.000035
   73.1779 1.293140   2  6  0    2   73.1917  1.292930    0.0138  0.000210
   78.9886 1.211869   1  7  1    2   78.9802  1.211976   -0.0084 -0.000107
   88.6593 1.102881   3  3  4    2   88.6555  1.102918   -0.0038 -0.000038

 rmse = 0.00008940662
 
     A =5.3083(8)              B =8.8828(5)               C =6.4165(7)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 302.55(3)