Data quality metrics extracted from 9ns8.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "33e9f542b175f3810f77f9a28508b090",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 72.77,
    "b": 181.42,
    "c": 300.12,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.51],
    "number_observations_unique": 66928,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 15.66
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.51],
      "number_observations_unique": 3689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1121
        },
        {
          "type": "R(meas)",
          "value": 0.1285
        },
        {
          "type": "I/SigI",
          "value": 1.22
        },
        {
          "type": "Completeness",
          "value": 73.8
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.547
        }
      ]
    }
  ]

}
  

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


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