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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070686
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.011
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   32.9761 2.714896   2  0  4    2   32.9909  2.713715    0.0148  0.001181
   50.3989 1.809512   3  0  6    2   50.4099  1.809143    0.0110  0.000369
   42.6730 2.117577   2  1  6    2   42.6785  2.117317    0.0055  0.000260
   10.2117 8.664478   0  0  2    2   10.2158  8.660984    0.0041  0.003495
   56.2562 1.634166   1  1 10    2   56.2602  1.634060    0.0040  0.000106
   18.0052 4.925539   1  1  0    2   18.0085  4.924649    0.0033  0.000890
   16.3268 5.428250   1  0  2    2   16.3293  5.427429    0.0025  0.000821
   40.9528 2.202488   1  3  0    2   40.9551  2.202370    0.0023  0.000118
   45.7461 1.982181   1  1  8    2   45.7476  1.982119    0.0015  0.000062
   51.7905 1.764104   2  3  4    2   51.7915  1.764073    0.0010  0.000031
   30.4845 2.930957   2  1  2    2   30.4855  2.930867    0.0010  0.000089
   36.4702 2.462328   2  2  0    2   36.4703  2.462325    0.0001  0.000004
   24.1924 3.677453   1  0  4    2   24.1918  3.677538   -0.0006 -0.000085
   40.1942 2.242301   3  0  2    2   40.1933  2.242347   -0.0009 -0.000046
   35.4842 2.528478   1  2  4    2   35.4832  2.528545   -0.0010 -0.000067
   27.5977 3.230755   2  0  2    2   27.5965  3.230888   -0.0012 -0.000133
   33.5875 2.666845   1  0  6    2   33.5863  2.666937   -0.0012 -0.000092
   41.6916 2.165140   0  0  8    2   41.6895  2.165246   -0.0021 -0.000106
   20.5050 4.330033   0  0  4    2   20.5028  4.330492   -0.0022 -0.000459
   25.5726 3.481931   2  0  0    2   25.5702  3.482253   -0.0024 -0.000321
   37.9716 2.368320   2  2  2    2   37.9692  2.368466   -0.0024 -0.000146
   44.2443 2.045931   3  0  4    2   44.2417  2.046043   -0.0026 -0.000112
   20.7454 4.280369   1  1  2    2   20.7423  4.280996   -0.0031 -0.000627
   52.5297 1.741001   4  0  0    2   52.5256  1.741126   -0.0041 -0.000125
   48.2457 1.885137   3  2  2    2   48.2416  1.885288   -0.0041 -0.000152
   49.5502 1.838507   2  0  8    2   49.5427  1.838769   -0.0075 -0.000262
   43.7657 2.067194   1  0  8    2   43.7561  2.067625   -0.0096 -0.000431

 rmse = 0.00004885598
 
     A =6.9645(2)              B =6.9645(2)               C =17.3220(7)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 840.19(6)