Data quality metrics extracted from 8pn4.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": "828f7c125cb796a1037f715e9a185c1d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.426,
    "b": 134.560,
    "c": 64.491,
    "alpha": 90.00,
    "beta": 93.18,
    "gamma": 90.00
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.52,2.60],
    "number_observations": 78862,
    "number_observations_unique": 20553,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.224
      },
      {
        "type": "R(meas)",
        "value": 0.263
      },
      {
        "type": "R(pim)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.72,2.60],
      "number_observations": 9556,
      "number_observations_unique": 2416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.827
        },
        {
          "type": "R(meas)",
          "value": 2.114
        },
        {
          "type": "R(pim)",
          "value": 1.055
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.285
        }
      ]
    }
  ]

}
  

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


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