Data quality metrics extracted from 7e13.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": "b5ec7d7c780b226f75f921ccd0c624c5",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 121.868,
    "b": 121.868,
    "c": 306.401,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.12,2.86],
    "number_observations_unique": 53245,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "I/SigI",
        "value": 17.9
      },
      {
        "type": "Completeness",
        "value": 98.01
      },
      {
        "type": "Redundancy",
        "value": 17.9
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.96,2.86],
      "number_observations_unique": 53245,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "CC(1/2)",
          "value": 1.0
        }
      ]
    }
  ]

}
  

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


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