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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070581
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.169
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.0314 8.960555   1  1  0    2   10.0394  8.953301    0.0080  0.007254
   14.0951 6.353709  -1  0  1    2   14.0994  6.351767    0.0043  0.001942
   14.9555 5.985888  -1  1  1    2   14.9564  5.985534    0.0009  0.000354
   20.5829 4.346758  -1  3  1    2   20.5817  4.347012   -0.0012 -0.000254
   21.8003 4.104802   1  4  0    2   21.8030  4.104292    0.0027  0.000510
   22.9133 3.906391   2  3  0    2   22.9129  3.906460   -0.0004 -0.000069
   23.7405 3.771144   0  4  1    2   23.7450  3.770429    0.0045  0.000714
   25.3311 3.536247   2  2  1    2   25.3373  3.535389    0.0062  0.000858
   27.8756 3.217001   3  2  0    2   27.8780  3.216724    0.0024  0.000277
   29.6351 3.028789  -1  3  2    2   29.6355  3.028746    0.0004  0.000043
   31.0053 2.897259   3  0  1    2   31.0061  2.897188    0.0008  0.000071
   32.0699 2.802960  -2  3  2    2   32.0695  2.802995   -0.0004 -0.000035
   35.2917 2.552876  -4  1  1    2   35.2957  2.552591    0.0040  0.000285
   36.3042 2.483634   4  2  0    2   36.3007  2.483865   -0.0035 -0.000232
   41.6895 2.173098  -2  6  2    2   41.6813  2.173506   -0.0082 -0.000408
   49.1199 1.859203  -3  7  2    2   49.1183  1.859260   -0.0016 -0.000057
   51.1295 1.790503   5  5  0    2   51.1247  1.790660   -0.0048 -0.000157
   52.4050 1.749744  -2  1  4    2   52.4062  1.749708    0.0012  0.000036
   64.8823 1.439263  -5  9  1    2   64.8863  1.439183    0.0040  0.000080

 rmse = 0.00003485971
 
     A =10.5090(7)             B =17.886(2)               C =7.1269(4)           
 Alpha =90                  Beta =100.22(1)           Gamma =90                  
 
 Volume = 1318.3(1)