Data quality metrics extracted from 7ljx.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": "0517061f0d7757deddf1391c6a31863e",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 52.837,
    "b": 96.767,
    "c": 38.372,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.07820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.384,1.309],
    "number_observations_unique": 48257,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 12.2
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 11.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.332,1.309],
      "number_observations_unique": 2078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.821
        },
        {
          "type": "R(meas)",
          "value": 0.887
        },
        {
          "type": "R(pim)",
          "value": 0.325
        },
        {
          "type": "Completeness",
          "value": 86.8
        },
        {
          "type": "Redundancy",
          "value": 8.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    }
  ]

}
  

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


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