Data quality metrics extracted from 5g56.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": "60c9a41393e66bdd7fe95c0ce92f12a5",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 147.41,
    "b": 191.73,
    "c": 50.70,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93340],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.70,2.64],
    "number_observations_unique": 42246,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16
      },
      {
        "type": "I/SigI",
        "value": 8.00
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 5.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.64],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.70
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 5
        }
      ]
    }
  ]

}
  

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


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