Data quality metrics extracted from 8zj5.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": "8869b89847c92b1561e1bbac2e187863",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 87.041,
    "b": 94.469,
    "c": 167.425,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.46,2.80],
    "number_observations_unique": 34601,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.23
      },
      {
        "type": "R(meas)",
        "value": 0.248
      },
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 12.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.94,2.80],
      "number_observations_unique": 4534,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.814
        },
        {
          "type": "R(meas)",
          "value": 0.89
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 10.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    }
  ]

}
  

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


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