Data quality metrics extracted from 7end.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": "0a5d015843ef09603672c97bc40192af",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 53.496,
    "b": 82.677,
    "c": 107.454,
    "alpha": 90.00,
    "beta": 103.64,
    "gamma": 90.00
  },
  "wavelengths": [1.54100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.76,1.99],
    "number_observations_unique": 31238,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1236
      },
      {
        "type": "R(meas)",
        "value": 0.1295
      },
      {
        "type": "R(pim)",
        "value": 0.03849
      },
      {
        "type": "I/SigI",
        "value": 33.16
      },
      {
        "type": "Completeness",
        "value": 99.46
      },
      {
        "type": "Redundancy",
        "value": 11.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.061,1.99],
      "number_observations_unique": 3133,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4076
        },
        {
          "type": "R(meas)",
          "value": 0.4344
        },
        {
          "type": "R(pim)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 5.12
        },
        {
          "type": "Completeness",
          "value": 99.62
        },
        {
          "type": "Redundancy",
          "value": 8.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.864
        }
      ]
    }
  ]

}
  

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


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