Data quality metrics extracted from 4qlh.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": "11f4a55b16c825d25c21be59fb5b906b",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 62.49,
    "b": 62.49,
    "c": 83.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.04,2.44],
    "number_observations_unique": 6182,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 89.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 50.9
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.57],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.73],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.7
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.7
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.2
        }
      ]
    },
    {
      "resolution_limits": [33.04,3.45],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.3
        }
      ]
    }
  ]

}
  

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


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