Data quality metrics extracted from 4d98.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": "d78fb9768a34f5677d6bd6818c16f9c9",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 158.260,
    "b": 158.260,
    "c": 93.867,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.70],
    "number_observations_unique": 47177,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 11.5
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 8.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations_unique": 4538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 7.0
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations_unique": 4817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.312
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 7.7
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "number_observations_unique": 4157,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "Completeness",
          "value": 84.4
        },
        {
          "type": "Redundancy",
          "value": 7.8
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "number_observations_unique": 4918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 7.7
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "number_observations_unique": 4896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.2
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "number_observations_unique": 3937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "Completeness",
          "value": 79.7
        },
        {
          "type": "Redundancy",
          "value": 7.7
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "number_observations_unique": 4930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.54],
      "number_observations_unique": 4934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.91],
      "number_observations_unique": 4965,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [30.0,3.66],
      "number_observations_unique": 5085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    }
  ]

}
  

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


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