Data quality metrics extracted from 4kys.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": "cbe9dca069681c91f4048d7f40a32712",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 63.504,
    "b": 36.306,
    "c": 156.813,
    "alpha": 90.00,
    "beta": 91.44,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.95,2.18],
    "number_observations_unique": 37547,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.4
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.61],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    }
  ]

}
  

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


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