Data quality metrics extracted from 6ld1.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": "d7544e1a999069ee647fee0b922024b5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.03,
    "b": 82.89,
    "c": 69.43,
    "alpha": 90.00,
    "beta": 114.52,
    "gamma": 90.00
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.69,1.4],
    "number_observations_unique": 126423,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 15.95
      },
      {
        "type": "Completeness",
        "value": 97.54
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.4],
      "number_observations_unique": 12347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.70
        },
        {
          "type": "I/SigI",
          "value": 0.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.433
        }
      ]
    }
  ]

}
  

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


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