DIALS analysis plots

Merging statistics

Resolution (Å)	N(obs)	N(unique)	Multiplicity	Completeness	Mean I	Mean I/σ(I)	R_merge	R_meas	R_pim	R_anom	CC_½	CC_ano
69.28 - 3.80	15075	2234	6.75	99.02	574.7	69.6	0.037	0.040	0.015	0.042	0.999*	0.287*
3.80 - 3.02	14880	2172	6.85	97.97	394.2	60.6	0.041	0.044	0.017	0.048	0.999*	0.415*
3.02 - 2.63	14565	2137	6.82	97.49	164.5	44.3	0.053	0.058	0.022	0.063	0.998*	0.370*
2.63 - 2.39	15019	2114	7.10	96.93	110.3	37.7	0.063	0.068	0.025	0.071	0.998*	0.359*
2.39 - 2.22	14683	2136	6.87	96.61	86.5	31.3	0.071	0.076	0.029	0.076	0.997*	0.296*
2.22 - 2.09	14802	2091	7.08	95.52	70.0	27.4	0.078	0.085	0.032	0.081	0.997*	0.250*
2.09 - 1.99	13938	2073	6.72	95.44	52.4	22.2	0.090	0.097	0.037	0.094	0.995*	0.251*
1.99 - 1.90	14894	2090	7.13	95.39	38.0	18.1	0.112	0.120	0.045	0.107	0.993*	0.129*
1.90 - 1.83	14242	2053	6.94	94.17	26.2	14.1	0.136	0.147	0.055	0.131	0.991*	0.209*
1.83 - 1.76	14070	2044	6.88	94.02	19.0	11.0	0.163	0.177	0.067	0.160	0.989*	0.150*
1.76 - 1.71	13879	2045	6.79	93.89	13.7	8.7	0.198	0.215	0.082	0.188	0.982*	0.127*
1.71 - 1.66	14092	2039	6.91	93.19	11.1	7.0	0.231	0.250	0.094	0.208	0.982*	0.087*
1.66 - 1.62	14264	1999	7.14	92.55	9.5	6.3	0.262	0.283	0.106	0.230	0.976*	0.096*
1.62 - 1.58	14233	2033	7.00	92.45	7.9	5.4	0.300	0.324	0.122	0.266	0.968*	0.096*
1.58 - 1.54	13835	2005	6.90	91.76	6.7	4.6	0.333	0.360	0.136	0.301	0.955*	0.058*
1.54 - 1.51	13573	1993	6.81	92.06	5.5	3.8	0.383	0.415	0.158	0.333	0.956*	0.039
1.51 - 1.48	13910	2010	6.92	91.82	4.8	3.3	0.438	0.474	0.179	0.381	0.944*	0.041
1.48 - 1.45	13663	1933	7.07	90.28	3.8	2.7	0.536	0.579	0.216	0.451	0.924*	0.037
1.45 - 1.42	13933	2000	6.97	90.91	3.2	2.3	0.625	0.675	0.253	0.510	0.904*	0.056*
1.42 - 1.40	11793	1935	6.09	90.55	3.0	2.0	0.642	0.702	0.279	0.588	0.889*	-0.012

*significant at p=0.01

Zwart, P. H., Grosse-Kunstleve, R. W. & Adams, P. D. (2005). CCP4 Newsl. 43, contribution 7.

Experiment number	scan image range	image range in use	associated batch range	Image template
0	(1, 720)	(1, 720)	(0, 719)	/dls/mx-scratch/dials/tutorial_data/betalactamase_summed/C2sum_1_####.cbf.gz

Crystal:	Space group:	C 1 2 1 (No. 5)	Unit cell:	$$\left( \begin{array}{cccccc} 53.170 & 61.243 & 69.288 & 90.000 & 93.045 & 90.000 \end{array}\right)$$
	U matrix:	$$\left( \begin{array}{rrr} 0.9560 & -0.2863 & 0.0639 \\ 0.0114 & 0.2539 & 0.9672 \\ -0.2931 & -0.9239 & 0.2460 \end{array} \right)$$	B matrix:	$$\left( \begin{array}{rrr} 0.0188 & 0.0000 & 0.0000 \\ -0.0000 & 0.0163 & 0.0000 \\ 0.0010 & 0.0000 & 0.0145 \end{array} \right)$$
	A = UB:	$$\left( \begin{array}{rrr} 0.0180 & -0.0047 & 0.0009 \\ 0.0012 & 0.0041 & 0.0140 \\ -0.0053 & -0.0151 & 0.0036 \end{array} \right)$$
	A sampled at 721 scan points		Average unit cell:	$$\left( \begin{array}{cccccc} 53.167 & 61.228 & 69.284 & 90.000 & 93.045 & 90.000 \end{array}\right)$$

Panel 1:	Pixel size (mm):	0.1720, 0.1720	Image size (pixels):	2463, 2527
	Trusted range:	0, 1.22424e+06	Thickness (mm):	0.32
	Material:	Si	μ:	7.89652
	Fast axis:	$$\left( \begin{array}{rrr} 0.9999 & -0.0056 & -0.0119 \end{array} \right)$$	Slow axis:	$$\left( \begin{array}{rrr} -0.0057 & -0.9999 & -0.0095 \end{array} \right)$$
	Origin:	$$\left( \begin{array}{rrr} -217.5046 & 210.3847 & -164.5213 \end{array} \right)$$	Distance (mm)	169.0882
	Max resolution (corners) (Å):	1.21	Max resolution (inscribed circle) (Å):	1.46
Scan:	Image range:	1, 720	Oscillation:	0.00°, +0.50°/frame
Goniometer:	Rotation axis:	$$\left( \begin{array}{rrr} 1.0000 & 0.0000 & 0.0000 \end{array} \right)$$
	Fixed rotation:	$$\left( \begin{array}{rrr} 0.9650 & 0.0599 & -0.2552 \\ -0.1286 & -0.7403 & -0.6599 \\ -0.2284 & 0.6696 & -0.7067 \end{array} \right)$$	Setting rotation:	$$\left( \begin{array}{rrr} 1.0000 & 0.0000 & 0.0000 \\ 0.0000 & 1.0000 & 0.0000 \\ 0.0000 & 0.0000 & 1.0000 \end{array} \right)$$