********************************************************************* UPPW 10 * Starting Powder Indexing Mode= Full powder indexing * Phase 1 Minimizer = 0.000000 symmetry= orthorhombic * Phase 2 Minimizer = 0.000000 symmetry= tetragonal Chi2/df = 0.01 Dif(A) = 0.00263 Phase No 1 Vol= 2484.86 A = 13.8912 +- 0.0428 B = 11.7456 +- 0.0314 C = 15.2297 +- 0.0427 alpha = 90.00 +- 0.00 beta = 90.00 +- 0.00 gamma = 90.00 +- 0.00 Chi2/df = 0.01 Dif(A) = 0.00263 Phase No 2 Vol= 684.32 A = 9.2334 +- 0.0304 B = 9.2334 +- 0.0304 C = 8.0266 +- 0.0597 alpha = 90.00 +- 0.00 beta = 90.00 +- 0.00 gamma = 90.00 +- 0.00 Powder Indexing N h k l phase d_exp d_fit Dif. chi2 Phase 1 2 1 1 0 1 8.97290 8.96911 -0.00379 0.1 3 1 1 1 1 7.74000 7.72845 -0.01155 0.5 4 0 0 2 1 7.60930 7.61483 0.00553 0.3 5 2 0 0 1 6.94160 6.94558 0.00398 0.0 6 1 0 2 1 6.68030 6.67736 -0.00294 0.0 8 2 1 0 1 5.97730 5.97851 0.00121 0.0 9 0 2 0 1 5.87330 5.87278 -0.00052 0.0 10 1 1 2 1 5.80480 5.80488 0.00008 0.0 11 2 1 1 1 5.56840 5.56508 -0.00332 0.1 12 0 2 1 1 5.47680 5.47950 0.00270 0.0 13 1 2 0 1 5.40380 5.40923 0.00543 0.0 14 2 0 2 1 5.13180 5.13159 -0.00021 0.0 15 2 1 2 1 4.69910 4.70238 0.00328 0.0 16 1 1 3 1 4.42050 4.41797 -0.00253 0.0 17 2 2 1 1 4.29960 4.30192 0.00232 0.0 19 2 1 3 1 3.86730 3.86968 0.00238 0.0 20 0 3 1 1 3.78670 3.79189 0.00519 0.0 22 1 3 1 1 3.65670 3.65805 0.00135 0.0 23 0 1 4 1 3.62390 3.62188 -0.00202 0.0 24 3 2 1 1 3.53660 3.53672 0.00012 0.0 25 3 1 3 1 3.28430 3.28457 0.00027 0.0 26 2 1 4 1 3.20480 3.21146 0.00666 0.0 27 2 3 2 1 3.11300 3.11268 -0.00032 0.0 28 4 1 2 1 3.05140 3.05123 -0.00017 0.0 29 1 3 3 1 3.02650 3.02583 -0.00067 0.0 30 3 2 3 1 2.95640 2.95607 -0.00033 0.0 31 0 4 0 1 2.93600 2.93639 0.00039 0.0 32 1 1 5 1 2.89080 2.88415 -0.00665 0.0 33 1 4 1 1 2.82400 2.82312 -0.00088 0.0 34 5 0 1 1 2.73140 2.73313 0.00173 0.0 35 1 4 2 1 2.68820 2.68797 -0.00023 0.0 36 1 2 5 1 2.65510 2.65408 -0.00102 0.0 Average d - d_calc (A) = 0.00249 Max d - d_calc (A) = 0.01155 Average exp_error (A) = 0.03407 N(d-visible) / N(d_exp) = 39 / 36 Phase 1 real hkl range: ( 0, 5), ( 0, 4), ( 0, 5) Phase 2 1 1 0 0 2 9.22980 9.23344 0.00364 0.0 7 1 0 1 2 6.05860 6.05770 -0.00090 0.0 18 2 1 0 2 4.13690 4.12932 -0.00758 0.0 21 1 0 2 2 3.67960 3.68064 0.00104 0.0 Average d - d_calc (A) = 0.00329 Max d - d_calc (A) = 0.00758 Average exp_error (A) = 0.03407 N(d-visible) / N(d_exp) = 16 / 36 Phase 2 real hkl range: ( 1, 2), ( 0, 1), ( 0, 2)