Data quality metrics extracted from 2cly.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": "a21a650382bcd539817b03cbab408bb2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.499,
    "b": 79.354,
    "c": 115.665,
    "alpha": 90.00,
    "beta": 93.08,
    "gamma": 90.00
  },
  "wavelengths": [1.77100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.000,2.800],
    "number_observations_unique": 21257,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10000
      },
      {
        "type": "I/SigI",
        "value": 19.7000
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 11.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.94000
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 77.4
        },
        {
          "type": "Redundancy",
          "value": 9.60
        }
      ]
    }
  ]

}
  

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


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