Data quality metrics extracted from 2pcx.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": "b43bde247929185f30414e0ee46f62ef",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.9,
    "b": 35.2,
    "c": 41.6,
    "alpha": 111.8,
    "beta": 94.9,
    "gamma": 112.4
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.54],
    "number_observations_unique": 21375,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 33.9
      },
      {
        "type": "Completeness",
        "value": 88
      },
      {
        "type": "Redundancy",
        "value": 4.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.60,1.54],
      "number_observations_unique": 1215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.402
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 49.7
        },
        {
          "type": "Redundancy",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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


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