Data quality metrics extracted from 4ki8.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": "d4ac2002dfb3c8974f157b35545a0a99",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 235.222,
    "b": 141.655,
    "c": 156.693,
    "alpha": 90.00,
    "beta": 113.84,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.17,2.72],
    "number_observations_unique": 120240,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.98
      },
      {
        "type": "Completeness",
        "value": 95.60
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.72],
      "number_observations_unique": 10710,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.3
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.82],
      "number_observations_unique": 11298,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.5
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.93],
      "number_observations_unique": 11698,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.2
        }
      ]
    },
    {
      "resolution_limits": [3.23,3.07],
      "number_observations_unique": 11936,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.23],
      "number_observations_unique": 12180,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.43],
      "number_observations_unique": 12315,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [4.07,3.69],
      "number_observations_unique": 12415,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [4.65,4.07],
      "number_observations_unique": 12496,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [5.86,4.65],
      "number_observations_unique": 12548,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [46.17,5.86],
      "number_observations_unique": 12644,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    }
  ]

}
  

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


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