Data quality metrics extracted from 7p01.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": "998182e6cc2482bce4897dbcad3439e0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 68.03,
    "b": 78.08,
    "c": 121.93,
    "alpha": 90.000,
    "beta": 94.096,
    "gamma": 90.000
  },
  "wavelengths": [0.97996],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.32,2.12],
    "number_observations_unique": 140413,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.23
      },
      {
        "type": "I/SigI",
        "value": 7.68
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.12],
      "number_observations_unique": 10323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.152
        },
        {
          "type": "I/SigI",
          "value": 1.54
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.623
        }
      ]
    }
  ]

}
  

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


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