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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050079
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.041
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.4849 7.107093   1  1  0    2   12.4775  7.111281   -0.0074 -0.004187
   21.4023 4.156121   0  4  0    2   21.4097  4.154704    0.0074  0.001417
   29.2028 3.059724   1  5  0    2   29.1828  3.061776   -0.0200 -0.002051
   29.6934 3.010209   2  2  1    2   29.6927  3.010282   -0.0007 -0.000073
   32.3489 2.768595   0  6  0    2   32.3344  2.769803   -0.0145 -0.001208
   35.1951 2.550686  -2  4  1    2   35.2067  2.549871    0.0116  0.000814
   37.4858 2.399742   1  3  2    2   37.4986  2.398951    0.0128  0.000790
   37.9636 2.370598   3  3  0    2   37.9664  2.370427    0.0028  0.000171
   38.2348 2.354386   3  1  1    2   38.2190  2.355325   -0.0158 -0.000939
   39.8115 2.264605   2  6  0    2   39.8084  2.264774   -0.0031 -0.000169
   42.8872 2.108892  -1  7  1    2   42.8849  2.108998   -0.0023 -0.000106
   45.8506 1.979125   0  6  2    2   45.8571  1.978861    0.0065  0.000264
   46.1323 1.967683   4  0  0    2   46.1492  1.966999    0.0169  0.000684
   52.3704 1.746849   2  8  1    2   52.3609  1.747144   -0.0095 -0.000295
   53.4841 1.713043   1  9  1    2   53.4773  1.713246   -0.0068 -0.000203
   58.9451 1.566578   5  1  0    2   58.9445  1.566592   -0.0006 -0.000014
   62.8775 1.477664   2 10  1    2   62.8747  1.477722   -0.0028 -0.000058
   64.1528 1.451312   1  7  3    2   64.1609  1.451149    0.0081  0.000163
   66.0349 1.414408   0  0  4    2   66.0518  1.414087    0.0169  0.000321
   67.0627 1.395193   4  6  2    2   67.0703  1.395053    0.0076  0.000140
   67.6361 1.384746   0 12  0    2   67.6275  1.384901   -0.0086 -0.000155
   75.4581 1.259356   0  6  4    2   75.4519  1.259445   -0.0062 -0.000089
   81.5240 1.180238  -5  3  3    2   81.5126  1.180374   -0.0114 -0.000136
   84.3207 1.148056  -4  0  4    2   84.3099  1.148176   -0.0108 -0.000120
   85.7476 1.132558   4 12  0    2   85.7637  1.132387    0.0161  0.000171

 rmse = 0.00012450299
 
     A =7.8680(7)              B =16.619(1)               C =5.6563(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 739.61(7)