Table 1:

Quantitative comparisons of median values and IQRs computed for structure.and ligand quality measures for Legacy vs. New. “Median Change” = “Median New” minus “Median Legacy”, and “Median Change by %” = “Median Change” divided by “Median Legacy”.

	Measures	Median Legacy	Median New	Median Change	Median Change by %	IQR Legacy	IQR New
Overall	Rfree	0.231	0.232	0.001	0.5%	0.049	0.051
	Clashscore	5.00	3.80	−1.20	−24.0%	5.65	4.41
	%Rama Outliers	0.00	0.00	0.00	0.0%	0.40	0.31
	%Rotamer Outliers	2.11	1.35	−0.76	−36.0%	3.49	2.48
	%RSRZ Outliers	3.09	2.80	−0.29	−9.4%	4.04	3.92
Ligand	RSR	0.17	0.17	0	0%	0.12	0.12
	RSCC	0.92	0.92	0	0%	0.11	0.11
	Bond Length RMSZ	0.6	0.59	−0.01	−1.7%	0.76	0.76
	Bond Angle RMSZ	0.79	0.75	−0.04	−5.1%	1.23	1.18
	OWAB	45.1	45.5	0.4	0.8%	38.8	37.9
	RSZD+	0.9	0.9	0	0%	1.7	1.6
	RSZD-	−0.6	−0.5	0.1	16.7%	1.4	1.3
	Resolution Limit (A)	2.05	2.1	0.05	2.4%	0.74	0.83
	MW (Da)	56377	58288	1911	3.4%	68042	73492