Data quality metrics extracted from 2pdj.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": "085f5bd3b4cd9594c7efcab150cc73d9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.390,
    "b": 47.100,
    "c": 46.164,
    "alpha": 76.11,
    "beta": 76.68,
    "gamma": 67.88
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.57],
    "number_observations_unique": 35579,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 25.6
      },
      {
        "type": "Completeness",
        "value": 87.1
      },
      {
        "type": "Redundancy",
        "value": 1.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.57],
      "number_observations_unique": 1218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22
        },
        {
          "type": "I/SigI",
          "value": 7.7
        },
        {
          "type": "Completeness",
          "value": 58.0
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    }
  ]

}
  

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


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