Table 3. Comparison between the calculated and theoretical values for a number of peak locations from a standard.

{hkl}	‘Tilted’ case Q (Å−1)	Theoretical Q (Å−1)	Fractional error
111	2.011022	2.010994	1.41 × 10−5
002	2.322116	2.322096	0.86 × 10−5
022	3.283983	3.283940	1.33 × 10−5
311	3.850707	3.850761	−1.38 × 10−5
222	4.021878	4.021988	−2.75 × 10−5
004	4.644089	4.644192	−2.21 × 10−5
331	5.060693	5.060891	−3.91 × 10−5
042	5.192384	5.192364	0.38 × 10−5
422	5.687668	5.687950	−4.96 × 10−5
333/511	6.032938	6.032982	−0.74 × 10−5