Data quality metrics extracted from 4qa8.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": "9ebfae72dd7de252172259e77babc0c4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.514,
    "b": 32.381,
    "c": 51.717,
    "alpha": 76.40,
    "beta": 80.79,
    "gamma": 71.23
  },
  "wavelengths": [0.97890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.1],
    "number_observations_unique": 68768,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 90.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.12,1.1],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82.0
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83.0
        }
      ]
    },
    {
      "resolution_limits": [1.16,1.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.6
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.5
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.21],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.2
        }
      ]
    }
  ]

}
  

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


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