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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040150
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.6942 9.153068   0  2  0    2    9.7006  9.146989    0.0064  0.006078
   10.6586 8.323894   1  1  0    2   10.6600  8.322807    0.0014  0.001086
   19.0194 4.671864   2  0  0    2   19.0147  4.673014   -0.0047 -0.001150
   19.4295 4.573970   0  4  0    2   19.4315  4.573495    0.0020  0.000476
   21.3674 4.162549   2  2  0    2   21.3733  4.161404    0.0059  0.001146
   22.9657 3.875847  -1  3  1    2   22.9702  3.875089    0.0045  0.000758
   25.7881 3.457046   1  3  1    2   25.7922  3.456499    0.0041  0.000546
   27.3029 3.268310   2  4  0    2   27.3007  3.268567   -0.0022 -0.000257
   29.0915 3.071036   3  1  0    2   29.0906  3.071130   -0.0009 -0.000094
   29.8714 2.992501   2  2  1    2   29.8700  2.992637   -0.0014 -0.000136
   32.4751 2.757984   1  5  1    2   32.4804  2.757547    0.0053  0.000437
   35.7924 2.509325  -2  0  2    2   35.7918  2.509363   -0.0006 -0.000038
   39.1621 2.300603  -3  5  1    2   39.1564  2.300925   -0.0057 -0.000323
   41.1000 2.196387   2  6  1    2   41.0983  2.196475   -0.0017 -0.000089
   44.4008 2.040318   3  5  1    2   44.3993  2.040383   -0.0015 -0.000065
   66.4286 1.406944  -6  6  1    2   66.4301  1.406916    0.0015  0.000028

 rmse = 0.00002755383
 
     A =     9.5556(4)         B =    18.293(2)           C =     5.3293(5)      
 Alpha =    90.             Beta =   102.024(6)       Gamma =    90.             
 
 Volume =    911.18(8)