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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060539
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.060
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3460 5.125684   0  2  0    2   17.3504  5.124376    0.0044  0.001309
   22.8552 3.897837   0  2  1    2   22.8574  3.897471    0.0022  0.000365
   23.8704 3.733894   1  0  1    2   23.8745  3.733255    0.0041  0.000639
   29.8037 3.001182   0  0  2    2   29.8003  3.001517   -0.0034 -0.000335
   32.2709 2.776715   1  3  0    2   32.2691  2.776868   -0.0018 -0.000153
   35.6527 2.520257   1  3  1    2   35.6523  2.520286   -0.0004 -0.000029
   36.4731 2.465335   1  1  2    2   36.4718  2.465418   -0.0013 -0.000083
   38.2215 2.356308   0  4  1    2   38.2180  2.356518   -0.0035 -0.000210
   38.8130 2.321694   2  1  0    2   38.8134  2.321671    0.0004  0.000023
   39.6293 2.275658   1  2  2    2   39.6271  2.275777   -0.0022 -0.000119
   39.9765 2.256661   1  4  0    2   39.9724  2.256881   -0.0041 -0.000220
   41.7361 2.165359   2  1  1    2   41.7359  2.165369   -0.0002 -0.000010
   52.1581 1.754061   2  2  2    2   52.1635  1.753890    0.0054  0.000170
   52.4390 1.745313   2  4  0    2   52.4427  1.745197    0.0037  0.000116
   54.7862 1.675875   2  4  1    2   54.7883  1.675815    0.0021  0.000060
   55.9813 1.642859   0  6  1    2   55.9794  1.642910   -0.0019 -0.000052
   56.7099 1.623446   1  3  3    2   56.7106  1.623427    0.0007  0.000019
   61.8224 1.500759   0  0  4    2   61.8224  1.500758    0.0000  0.000001
   62.5697 1.484602   0  6  2    2   62.5715  1.484563    0.0018  0.000039
   69.3828 1.354396   3  2  2    2   69.3789  1.354462   -0.0039 -0.000066

 rmse = 0.00003028910
 
     A =4.7673(1)              B =10.2488(3)              C =6.0030(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 293.30(1)