Data quality metrics extracted from 4jac.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": "71ee31b82d645ad43d380996470b317b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 57.453,
    "b": 67.503,
    "c": 68.925,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.903,1.934],
    "number_observations_unique": 19059,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 92.51
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.934],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 74.4
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.6
        }
      ]
    },
    {
      "resolution_limits": [2.04,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.2
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.8
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    }
  ]

}
  

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


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