Data quality metrics extracted from 4kb6.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": "e63c6fe0732a23449af2cea7f288dcf7",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 86.28,
    "b": 111.89,
    "c": 117.78,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97626],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [999,3.07],
    "number_observations_unique": 10762,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.25,3.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.7
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.75,3.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.60,4.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [5.30,4.61],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [6.49,5.31],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [9.14,6.50],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [999,9.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    }
  ]

}
  

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


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