Data quality metrics extracted from 7p4l.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": "e8ff7e77ad1d8f1a988be6ad038365dd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 262.51,
    "b": 111.33,
    "c": 68.51,
    "alpha": 90.000,
    "beta": 100.709,
    "gamma": 90.000
  },
  "wavelengths": [1.00523],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.32,2.3],
    "number_observations_unique": 85618,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.100
      },
      {
        "type": "R(meas)",
        "value": 0.115
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 11.35
      },
      {
        "type": "Completeness",
        "value": 99.54
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.300],
      "number_observations_unique": 8536,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.43
        },
        {
          "type": "Completeness",
          "value": 99.86
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.580
        }
      ]
    }
  ]

}
  

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


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