************************************************************************ UPPW 09 * Starting Powder Indexing Mode= Full powder indexing * Phase 1 Minimizer = 0.000000 symmetry= monoclinic * Phase 2 Minimizer = 0.000000 symmetry= orthorhombic Chi2/df = 0.00 Dif(A) = 0.00546 Phase No 1 Vol= 1609.47 A = 14.5305 +- 26.3934 B = 8.5279 +- 15.6688 C = 13.5814 +- 29.1425 alpha = 90.00 +- 0.00 beta = 106.99 +- 177.13 gamma = 90.00 +- 0.00 Phase No 2 Vol= 481.05 A = 9.8124 +- 19.3043 B = 7.6710 +- 19.8855 C = 6.3909 +- 17.4030 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 1 -1 0 1 1 11.27935 11.27364 -0.00571 0.0 3 0 1 0 1 8.53031 8.52788 -0.00243 0.0 5 0 1 1 1 7.12027 7.12868 0.00840 0.0 6 2 0 0 1 6.94013 6.94815 0.00803 0.0 7 -1 0 2 1 6.65993 6.67961 0.01968 0.0 9 1 1 1 1 5.96981 5.96609 -0.00372 0.0 10 -2 0 2 1 5.65003 5.63682 -0.01321 0.0 11 -2 1 1 1 5.42003 5.42996 0.00993 0.0 12 0 1 2 1 5.18011 5.16668 -0.01343 0.0 13 -3 0 1 1 4.83003 4.83255 0.00251 0.0 14 3 0 0 1 4.64005 4.63210 -0.00794 0.0 15 -3 0 2 1 4.43001 4.43290 0.00289 0.0 16 0 2 0 1 4.25993 4.26394 0.00401 0.0 18 0 2 1 1 4.06004 4.05122 -0.00881 0.0 19 0 1 3 1 3.85993 3.86050 0.00057 0.0 20 -3 0 3 1 3.76002 3.75788 -0.00214 0.0 21 3 1 1 1 3.62004 3.62743 0.00739 0.0 22 1 1 3 1 3.50004 3.49235 -0.00769 0.0 23 -3 1 3 1 3.42995 3.43881 0.00886 0.0 24 -4 1 1 1 3.35003 3.34110 -0.00892 0.0 27 -5 0 2 1 2.87998 2.87726 -0.00272 0.0 28 0 3 0 1 2.84003 2.84263 0.00259 0.0 29 -2 0 5 1 2.70998 2.70642 -0.00356 0.0 30 2 0 4 1 2.66003 2.65880 -0.00123 0.0 31 -2 1 5 1 2.57999 2.57963 -0.00036 0.0 Average d - d_calc (A) = 0.00627 Max d - d_calc (A) = 0.01968 Average exp_error (A) = 20.38710 N(d-visible) / N(d_exp) = 1 / 31 Phase 1 real hkl range: ( -5, 3), ( 0, 3), ( 0, 5) Phase 2 2 1 0 0 2 9.81027 9.81238 0.00210 0.0 4 0 1 0 2 7.66994 7.67103 0.00109 0.0 8 0 0 1 2 6.39012 6.39089 0.00077 0.0 17 2 1 0 2 4.14002 4.13314 -0.00688 0.0 25 1 0 2 2 3.03996 3.03839 -0.00156 0.0 26 0 1 2 2 2.95000 2.94975 -0.00025 0.0 Average d - d_calc (A) = 0.00211 Max d - d_calc (A) = 0.00688 Average exp_error (A) = 20.38710 N(d-visible) / N(d_exp) = 1 / 31 Phase 2 real hkl range: ( 0, 2), ( 0, 1), ( 0, 2) *********************************************************************