Table 2. Progress of paired refinement using data with a continuously decreasing 〈I/σ(I)〉 cutoff.

Initial R values in X→Y steps are calculated using the model refined with data X against data X. Final R values are calculated using the model refined with data Y against data X.

Dataset	Resolution (Å)	Unique reflections added	Initial R work/R free	Final R work/R free	ΔR work/R free
A1.2	47.53–3.29†–2.58			0.2228/0.2560
A1.2→A1.0	47.53–3.26†–2.56	548	0.2228/0.2560	0.2202/0.2525	−0.0026/−0.0035
A1.0→A0.75	47.53–3.20†–2.52	905	0.2248/0.2572	0.2214/0.2538	−0.0034/−0.0034
A0.75→A0.5	47.53–3.13†–2.47	1123	0.2287/0.2611	0.2247/0.2583	−0.0040/−0.0028

^†Lowest high-resolution diffraction limit after anisotropic cut-off.