Data quality metrics extracted from 9fit.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": "210d1f13d4f8980111e3b86293fccc49",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.764,
    "b": 67.688,
    "c": 77.513,
    "alpha": 90.000,
    "beta": 90.543,
    "gamma": 90.000
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.66,2.20],
    "number_observations_unique": 37692,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1689
      },
      {
        "type": "I/SigI",
        "value": 5.91
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 3.81
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.20],
      "number_observations_unique": 4455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5394
        },
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "Completeness",
          "value": 91.0
        },
        {
          "type": "Redundancy",
          "value": 2.17
        }
      ]
    }
  ]

}
  

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


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