Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 2o8b.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.
Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "368a0e48e1e15a78697d7997b2b41414",
  "space_group_name": "P 43 3 2",
  "unit_cell": {
    "a": 258.74,
    "b": 258.74,
    "c": 258.74,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00650,0.97930,0.97940,0.97690],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.047,2.750],
    "number_observations_unique": 76720,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 7.200
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 9.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.75],
      "number_observations": 30848,
      "number_observations_unique": 5473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 97.90
        },
        {
          "type": "Redundancy",
          "value": 5.60
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.82],
      "number_observations": 38081,
      "number_observations_unique": 5440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.505
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.00
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.90],
      "number_observations": 45757,
      "number_observations_unique": 5302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.98],
      "number_observations": 46228,
      "number_observations_unique": 5191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.90
        }
      ]
    },
    {
      "resolution_limits": [3.18,3.07],
      "number_observations": 46423,
      "number_observations_unique": 4991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 9.30
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.18],
      "number_observations": 46745,
      "number_observations_unique": 4857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 9.60
        }
      ]
    },
    {
      "resolution_limits": [3.41,3.29],
      "number_observations": 46270,
      "number_observations_unique": 4659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.286
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 9.90
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.41],
      "number_observations": 46275,
      "number_observations_unique": 4536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.20
        }
      ]
    },
    {
      "resolution_limits": [3.71,3.55],
      "number_observations": 43886,
      "number_observations_unique": 4353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.10
        }
      ]
    },
    {
      "resolution_limits": [3.89,3.71],
      "number_observations": 43797,
      "number_observations_unique": 4155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.50
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.89],
      "number_observations": 38594,
      "number_observations_unique": 3952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 9.80
        }
      ]
    },
    {
      "resolution_limits": [4.35,4.10],
      "number_observations": 40056,
      "number_observations_unique": 3761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 9.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.70
        }
      ]
    },
    {
      "resolution_limits": [4.65,4.35],
      "number_observations": 37840,
      "number_observations_unique": 3538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 12.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.70
        }
      ]
    },
    {
      "resolution_limits": [5.02,4.65],
      "number_observations": 35400,
      "number_observations_unique": 3328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 12.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.60
        }
      ]
    },
    {
      "resolution_limits": [5.50,5.02],
      "number_observations": 32354,
      "number_observations_unique": 3067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 11.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.50
        }
      ]
    },
    {
      "resolution_limits": [6.15,5.50],
      "number_observations": 29027,
      "number_observations_unique": 2793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 11.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.40
        }
      ]
    },
    {
      "resolution_limits": [7.10,6.15],
      "number_observations": 25550,
      "number_observations_unique": 2496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.20
        }
      ]
    },
    {
      "resolution_limits": [8.70,7.10],
      "number_observations": 21280,
      "number_observations_unique": 2138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 15.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.00
        }
      ]
    },
    {
      "resolution_limits": [12.30,8.70],
      "number_observations": 17189,
      "number_observations_unique": 1705,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 25.1
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 10.10
        }
      ]
    },
    {
      "resolution_limits": [48.05,12.30],
      "number_observations": 8516,
      "number_observations_unique": 985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 26.9
        },
        {
          "type": "Completeness",
          "value": 97.20
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    }
  ]

}
Table 1 generated from MXLIMS-JSON (via JavaScript):

	Overall	InnerShell	OuterShell
Low resolution limit [Å]	48.047	48.050	2.900
High resolution limit [Å]	2.750	12.300	2.820
R(merge)	0.0940	0.0230	0.5050
Completeness [%]	99.8	97.2	100.0
Multiplicity	9.4	8.6	7.0
Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å]			R(merge)	Completeness [%]	Multiplicity
48.050	-	12.300	0.0230	97.2	8.6
12.300	-	8.700	0.0250	99.9	10.1
8.700	-	7.100	0.0380	100.0	10.0
7.100	-	6.150	0.0550	100.0	10.2
6.150	-	5.500	0.0620	100.0	10.4
5.500	-	5.020	0.0610	100.0	10.5
5.020	-	4.650	0.0570	100.0	10.6
4.650	-	4.350	0.0590	100.0	10.7
4.350	-	4.100	0.0740	100.0	10.7
4.100	-	3.890	0.1340	99.6	9.8
3.890	-	3.710	0.1320	100.0	10.5
3.710	-	3.550	0.1920	100.0	10.1
3.550	-	3.410	0.2260	100.0	10.2
3.410	-	3.290	0.2860	100.0	9.9
3.290	-	3.180	0.3560	100.0	9.6
3.180	-	3.070	0.4190	100.0	9.3
3.070	-	2.980	0.4670	100.0	8.9
2.980	-	2.900	0.4930	100.0	8.6
2.900	-	2.820	0.5050	100.0	7.0
2.820	-	2.750	0.5040	97.9	5.6