Table 3. Statistical agreement factors after the joint refinement.

	XRD	PND
No. of reflections	4212	291
R (%)†	1.11	4.85
R w (%)‡	1.36	3.43
(1 − r)%§	–	11.56
GooF¶	1.34	9.7
No. of parameters	207	27

^†

^‡ . F _obs and F _cal are the observed and calculated structure factors.

^§ R _obs and R _calc are the experimental and calculated flipping ratios.

^¶