Data quality metrics extracted from 5n96.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": "1a7ed3558f9f44fab2ccaaf4c0743a6e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 303.389,
    "b": 51.316,
    "c": 164.602,
    "alpha": 90.00,
    "beta": 114.57,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.65,2.716],
    "number_observations_unique": 61776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1022
      },
      {
        "type": "I/SigI",
        "value": 10.90
      },
      {
        "type": "Completeness",
        "value": 97.57
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.813,2.716],
      "number_observations_unique": 6222,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7207
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "Completeness",
          "value": 99.86
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.778
        }
      ]
    }
  ]

}
  

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


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