Data quality metrics extracted from 7gnw.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": "d677f2aed4f7bb56d917b7ba5aa80a57",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.741,
    "b": 62.861,
    "c": 147.540,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.88,1.44],
    "number_observations": 906239,
    "number_observations_unique": 73015,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "R(meas)",
        "value": 0.110
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 8.2
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 12.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.44],
      "number_observations": 33243,
      "number_observations_unique": 3670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.650
        },
        {
          "type": "R(meas)",
          "value": 3.863
        },
        {
          "type": "R(pim)",
          "value": 1.252
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Redundancy",
          "value": 9.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.310
        }
      ]
    }
  ]

}
  

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


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