Data quality metrics extracted from 4k88.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": "3fe88931ac40fe7fefaba2a5e31cf919",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 120.813,
    "b": 120.813,
    "c": 104.711,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.6190],
    "number_observations_unique": 26034,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.67,2.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.5
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.1
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.77],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    }
  ]

}
  

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


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