Data quality metrics extracted from 9nrt.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": "e257745e216de50d06b3c85672b89c13",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 95.170,
    "b": 171.615,
    "c": 226.424,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.87,1.98],
    "number_observations_unique": 254864,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "R(pim)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 16.1
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.98],
      "number_observations_unique": 11594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.0
        },
        {
          "type": "R(pim)",
          "value": 0.67
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.459
        }
      ]
    }
  ]

}
  

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


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