Data quality metrics extracted from 9l3j.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": "7854da153f668553b675416759f3aa44",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.295,
    "b": 106.913,
    "c": 83.742,
    "alpha": 90.0,
    "beta": 90.9,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.06,2.74],
    "number_observations_unique": 36896,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "R(meas)",
        "value": 0.165
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 6.7
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.84,2.74],
      "number_observations_unique": 3367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.013
        },
        {
          "type": "R(pim)",
          "value": 0.603
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 90.4
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.848
        }
      ]
    }
  ]

}
  

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


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