Data quality metrics extracted from 4v00.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": "d6ea9fdaf81370ce0918f4e696816176",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.152,
    "b": 59.721,
    "c": 63.074,
    "alpha": 80.15,
    "beta": 82.98,
    "gamma": 89.27
  },
  "wavelengths": [1.45861],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.75,1.82],
    "number_observations_unique": 72773,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 15.10
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 7.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.82],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.81
        },
        {
          "type": "I/SigI",
          "value": 2.20
        },
        {
          "type": "Completeness",
          "value": 91.2
        },
        {
          "type": "Redundancy",
          "value": 6.2
        }
      ]
    }
  ]

}
  

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


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