******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060183
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.2286 3.675217   1  2  1    2   24.2313  3.674810    0.0027  0.000407
   25.8017 3.454319   2  0  0    2   25.8068  3.453653    0.0051  0.000666
   27.2038 3.279169  -1  2  1    2   27.2032  3.279236   -0.0006 -0.000067
   28.3496 3.149035   0  2  2    2   28.3463  3.149389   -0.0033 -0.000354
   29.0279 3.076893   2  0  1    2   29.0337  3.076292    0.0058  0.000601
   29.6766 3.011022  -2  1  0    2   29.6769  3.010993    0.0003  0.000029
   30.1820 2.961690  -2  1  1    2   30.1771  2.962161   -0.0049 -0.000471
   30.9918 2.886043  -1 -3  1    2   30.9903  2.886181   -0.0015 -0.000138
   31.6206 2.830012   0  3  1    2   31.6140  2.830585   -0.0066 -0.000572
   32.1846 2.781645   1  3  1    2   32.1908  2.781124    0.0062  0.000521
   33.7105 2.659021  -1  1  3    2   33.7149  2.658683    0.0044  0.000338
   38.1929 2.356364   3  1  0    2   38.1877  2.356676   -0.0052 -0.000312
   41.3164 2.185012   1  4  1    2   41.3122  2.185227   -0.0042 -0.000215
   41.5708 2.172216   0  4  1    2   41.5723  2.172143    0.0015  0.000073
   41.8881 2.156480   3  0  1    2   41.8859  2.156589   -0.0022 -0.000110
   44.0347 2.056128  -3 -3  1    2   44.0384  2.055966    0.0037  0.000163
   45.4579 1.994963  -2  0  4    2   45.4556  1.995057   -0.0023 -0.000094
   47.2906 1.921782  -2  3  2    2   47.2936  1.921666    0.0030  0.000116
   49.9663 1.824891   3 -1  2    2   49.9668  1.824874    0.0005  0.000017

 rmse = 0.00003814160
 
     A =7.1491(5)              B =9.1878(7)               C =8.9527(9)           
 Alpha =91.85(1)            Beta =98.208(8)           Gamma =77.334(6)           
 
 Volume = 567.87(6)