Data quality metrics extracted from 8gb5.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": "2f620c1f709f3fc3cf45b1bb9e6ae36d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.485,
    "b": 105.824,
    "c": 118.179,
    "alpha": 83.08,
    "beta": 67.47,
    "gamma": 64.04
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,3.05],
    "number_observations": 187691,
    "number_observations_unique": 128807,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.867
      },
      {
        "type": "I/SigI",
        "value": 1.3
      },
      {
        "type": "Completeness",
        "value": 91.5
      },
      {
        "type": "Redundancy",
        "value": 1.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.10,3.05],
      "number_observations_unique": 6307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.262
        },
        {
          "type": "Completeness",
          "value": 88.5
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [3.16,3.10],
      "number_observations_unique": 6099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.172
        },
        {
          "type": "Completeness",
          "value": 87.1
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [3.22,3.16],
      "number_observations_unique": 6347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.002
        },
        {
          "type": "Completeness",
          "value": 89.9
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.22],
      "number_observations_unique": 6491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.919
        },
        {
          "type": "Completeness",
          "value": 91.8
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [3.36,3.29],
      "number_observations_unique": 6422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.818
        },
        {
          "type": "Completeness",
          "value": 92.0
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.36],
      "number_observations_unique": 6522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "Completeness",
          "value": 92.4
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.43],
      "number_observations_unique": 6509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.608
        },
        {
          "type": "Completeness",
          "value": 92.1
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.52],
      "number_observations_unique": 6423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.533
        },
        {
          "type": "Completeness",
          "value": 91.7
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [3.72,3.62],
      "number_observations_unique": 6328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.497
        },
        {
          "type": "Completeness",
          "value": 90.0
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [3.84,3.72],
      "number_observations_unique": 6510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "Completeness",
          "value": 93.1
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.84],
      "number_observations_unique": 6530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "Completeness",
          "value": 92.9
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.98],
      "number_observations_unique": 6414,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "Completeness",
          "value": 91.4
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [4.33,4.14],
      "number_observations_unique": 6422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "Completeness",
          "value": 91.3
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [4.56,4.33],
      "number_observations_unique": 6648,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [4.84,4.56],
      "number_observations_unique": 6523,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.240
        },
        {
          "type": "Completeness",
          "value": 93.1
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [5.21,4.84],
      "number_observations_unique": 6403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "Completeness",
          "value": 90.9
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [5.74,5.21],
      "number_observations_unique": 6466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "Completeness",
          "value": 92.1
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [6.57,5.74],
      "number_observations_unique": 6409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.240
        },
        {
          "type": "Completeness",
          "value": 91.0
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [8.27,6.57],
      "number_observations_unique": 6522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "Completeness",
          "value": 92.9
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [50.00,8.27],
      "number_observations_unique": 6512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.160
High resolution limit [Å] 3.050 8.270 3.100
R(merge) 0.8670 0.1370 1.1720
Completeness [%] 91.5 92.6 87.1
Multiplicity 1.5 1.5 1.4


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-8.270 0.1370 92.6 1.5
8.270-6.570 0.2000 92.9 1.5
6.570-5.740 0.2400 91.0 1.4
5.740-5.210 0.2380 92.1 1.5
5.210-4.840 0.2580 90.9 1.4
4.840-4.560 0.2400 93.1 1.5
4.560-4.330 0.2610 93.9 1.5
4.330-4.140 0.3090 91.3 1.4
4.140-3.980 0.3640 91.4 1.5
3.980-3.840 0.4120 92.9 1.5
3.840-3.720 0.4220 93.1 1.5
3.720-3.620 0.4970 90.0 1.4
3.620-3.520 0.5330 91.7 1.5
3.520-3.430 0.6080 92.1 1.5
3.430-3.360 0.6620 92.4 1.5
3.360-3.290 0.8180 92.0 1.5
3.290-3.220 0.9190 91.8 1.5
3.220-3.160 1.0020 89.9 1.4
3.160-3.100 1.1720 87.1 1.4
3.100-3.050 1.2620 88.5 1.4