Data quality metrics extracted from 5lts.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": "424a4e3a5fece0534992fc14b0f6d932",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 144.825,
    "b": 159.221,
    "c": 52.686,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.57,2.51],
    "number_observations_unique": 31183,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06018
      },
      {
        "type": "I/SigI",
        "value": 14.17
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.60,2.51],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.09
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.649
        }
      ]
    }
  ]

}
  

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


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