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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040029
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.6553 7.608568   0  2  0    2   11.6607  7.605039    0.0054  0.003529
   20.7582 4.282529  -1  2  1    2   20.7603  4.282102    0.0021  0.000427
   28.1498 3.171189  -1  1  2    2   28.1450  3.171715   -0.0048 -0.000526
   29.1396 3.065556  -1  4  1    2   29.1392  3.065602   -0.0004 -0.000045
   34.6194 2.591351  -2  0  2    2   34.6274  2.590769    0.0080  0.000582
   35.9997 2.495000   2  0  0    2   36.0011  2.494907    0.0014  0.000093
   36.6500 2.452167  -2  2  2    2   36.6468  2.452372   -0.0032 -0.000205
   37.4124 2.403883   1  4  1    2   37.4062  2.404268   -0.0062 -0.000385
   42.2079 2.140967  -2  4  2    2   42.2062  2.141051   -0.0017 -0.000084
   44.2309 2.047548  -2  1  3    2   44.2388  2.047202    0.0079  0.000346
   45.5268 1.992189   1  7  0    2   45.5271  1.992178    0.0003  0.000011
   46.4606 1.954270   2  1  1    2   46.4705  1.953877    0.0099  0.000392
   47.8848 1.899375   0  6  2    2   47.8783  1.899620   -0.0065 -0.000245
   48.3983 1.880401  -1  4  3    2   48.4003  1.880327    0.0020  0.000074
   54.4676 1.684203  -3  2  3    2   54.4646  1.684289   -0.0030 -0.000086
   55.1910 1.663813  -3  4  1    2   55.1819  1.664067   -0.0091 -0.000254
   55.8618 1.645401  -1  6  3    2   55.8552  1.645580   -0.0066 -0.000179
   60.3599 1.533023  -2  8  2    2   60.3696  1.532801    0.0097  0.000223
   66.7077 1.401637   3  2  1    2   66.7083  1.401625    0.0006  0.000012

 rmse = 0.00006764059
 
     A =5.6759(4)              B =15.210(1)               C =6.5265(6)           
 Alpha =90                  Beta =118.463(5)          Gamma =90                  
 
 Volume = 495.33(5)