I (obs) I (calc) Obs-Calc (311) 600 (444) (533) (622) (531) (620) (511) (422) (331) (222) I (a.u.) (111) 200 (400) (220) (440) 400 0 -200 -400 10 15 20 25 30 35 40 45 2 theta 50 55 60 65 70 75 80 I (obs) I (calc) Obs-Calc (311) 600 (444) (533) (622) (531) (620) (333) (442) (331) (222) I (obs) (111) 200 (400) (220) (440) 400 0 -200 -400 10 15 20 25 30 35 40 45 50 55 60 65 70 75 80 2 theta 2500 Peak I (obs) I (calc) Obs-Calc I (obs) 2000 1500 1000 10 15 20 25 30 35 40 45 2theta 50 55 60 65 70 75 80