UPPW1 ************************************************************ * Starting Powder Indexing. Initial dif(Angs)= 0.00496 * Phase 1 Minimizer = 0.000000 symmetry= monoclinic * Mode= Full powder indexing N of trials = 10000 Direct lattice parameters Phase No 1 Vol= 1230.18 A = 13.79199 +- 0.00290 B = 8.47732 +- 0.00149 C = 10.62961 +- 0.00205 alpha = 90.00 +- 0.00 beta = 98.17 +- 0.03 gamma = 90.00 +- 0.00 The most rectangular lattice. 13.7920 8.4773 10.6296 90.00 98.17 90.00 Powder Indexing N h k l phase d_exp d_fit Dif. chi2 Phase 1 1 0 0 1 10.52960 10.52164 -0.00796 14.58 2 -1 1 0 7.20050 7.20179 0.00129 0.90 3 2 0 0 6.81850 6.82595 0.00745 13.87 4 0 1 1 6.59490 6.60127 0.00637 40.55 5 -1 1 1 6.17100 6.16228 -0.00872 17.49 6 1 1 1 5.75620 5.74550 -0.01070 46.92 7 -2 1 0 5.31750 5.31665 -0.00085 0.65 8 0 0 2 5.24320 5.26082 0.01762 37.25 9 -2 1 1 4.97340 4.97204 -0.00136 0.24 10 2 1 1 4.54300 4.54690 0.00390 1.21 11 0 1 2 4.46440 4.47003 0.00563 0.95 12 -1 1 2 4.40370 4.40851 0.00481 1.39 13 1 1 2 4.09970 4.10403 0.00433 2.99 14 -1 2 0 4.05720 4.04803 -0.00917 11.76 15 -3 1 1 3.91510 3.91332 -0.00178 0.98 16 -1 2 1 3.83940 3.83260 -0.00680 6.48 17 1 2 1 3.73070 3.72579 -0.00491 1.68 18 -2 2 0 3.60600 3.60089 -0.00511 1.30 19 0 0 3 3.50000 3.50721 0.00721 1.04 20 4 0 0 3.41470 3.41297 -0.00173 0.54 21 -4 0 1 3.39540 3.39103 -0.00437 0.96 22 0 2 2 3.30260 3.30063 -0.00197 0.27 23 -1 2 2 3.27830 3.27563 -0.00267 0.28 24 0 1 3 3.23960 3.24081 0.00121 0.01 25 -4 1 0 3.16880 3.16602 -0.00278 0.23 26 -4 1 1 3.15000 3.14848 -0.00152 0.05 27 -3 2 0 3.10670 3.10162 -0.00508 1.55 28 1 1 3 3.06100 3.06402 0.00302 1.19 Average d - d_calc (A) = 0.00455 Average exp_error (A) = 0.00359 Phase 1 real hkl range: ( -4, 4), ( 0, 2), ( 0, 3) Criterion = 30.592 chi2/dfr = 7.40