Data quality metrics extracted from 4j07.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": "dc633eebe7e9e6eea87a686972615163",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 109.95,
    "b": 109.95,
    "c": 288.33,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.95],
    "number_observations_unique": 75991,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "I/SigI",
        "value": 19.05
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 17.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.95],
      "number_observations": 27690,
      "number_observations_unique": 5036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 4.16
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 8.15
        }
      ]
    },
    {
      "resolution_limits": [2.06,2.00],
      "number_observations": 35513,
      "number_observations_unique": 4994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.06],
      "number_observations": 45376,
      "number_observations_unique": 4848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 7.96
        },
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.12],
      "number_observations": 49709,
      "number_observations_unique": 4726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 11.29
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.18],
      "number_observations": 47968,
      "number_observations_unique": 4562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 12.17
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.25],
      "number_observations": 46755,
      "number_observations_unique": 4459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 14.19
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.33],
      "number_observations": 45047,
      "number_observations_unique": 4264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 16.06
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.42],
      "number_observations": 43412,
      "number_observations_unique": 4123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "I/SigI",
          "value": 17.91
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.52],
      "number_observations": 41907,
      "number_observations_unique": 3993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 18.64
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.63],
      "number_observations": 39733,
      "number_observations_unique": 3817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 21.91
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.76],
      "number_observations": 37541,
      "number_observations_unique": 3640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "I/SigI",
          "value": 24.54
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.91],
      "number_observations": 35237,
      "number_observations_unique": 3447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 26.36
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [3.30,3.08],
      "number_observations": 32598,
      "number_observations_unique": 3259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 29.66
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.30],
      "number_observations": 30170,
      "number_observations_unique": 3047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 32.21
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [3.90,3.56],
      "number_observations": 27161,
      "number_observations_unique": 2814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 33.99
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [4.36,3.90],
      "number_observations": 24091,
      "number_observations_unique": 2577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 34.95
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [5.03,4.36],
      "number_observations": 19430,
      "number_observations_unique": 2296,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 33.98
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [6.17,5.03],
      "number_observations": 16635,
      "number_observations_unique": 1975,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 30.69
        },
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [8.72,6.17],
      "number_observations": 12523,
      "number_observations_unique": 1572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 31.60
        },
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [50,8.72],
      "number_observations": 6401,
      "number_observations_unique": 953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 31.44
        },
        {
          "type": "Completeness",
          "value": 96.8
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.060
High resolution limit [Å] 1.950 8.720 2.000
R(merge) 0.1210 0.0730 0.4270
Completeness [%] 99.6 96.8 99.2
Multiplicity 17.9 - -


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-8.720 0.0730 96.8 -
8.720-6.170 0.0790 99.7 -
6.170-5.030 0.0890 99.9 -
5.030-4.360 0.0850 99.9 -
4.360-3.900 0.0850 99.9 -
3.900-3.560 0.0900 99.9 -
3.560-3.300 0.0950 99.9 -
3.300-3.080 0.1040 99.9 -
3.080-2.910 0.1190 99.9 -
2.910-2.760 0.1280 99.9 -
2.760-2.630 0.1450 99.9 -
2.630-2.520 0.1710 100.0 -
2.520-2.420 0.1810 100.0 -
2.420-2.330 0.2080 100.0 -
2.330-2.250 0.2390 100.0 -
2.250-2.180 0.2760 100.0 -
2.180-2.120 0.2880 100.0 -
2.120-2.060 0.3540 99.0 -
2.060-2.000 0.4270 99.2 -
2.000-1.950 0.5230 96.4 8.2