Data quality metrics extracted from 4i5q.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": "9d82a7a99a5049bd818b298d0c8e7310",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 77.989,
    "b": 78.526,
    "c": 84.414,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.962],
    "number_observations_unique": 36553,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.22],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.17],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.9
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.3
        }
      ]
    },
    {
      "resolution_limits": [2.04,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.6
        }
      ]
    }
  ]

}
  

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


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