Data quality metrics extracted from 6nr0.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": "83e1c434de8bbe3bcd69146298b5cc52",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 82.310,
    "b": 76.840,
    "c": 114.461,
    "alpha": 90.000,
    "beta": 95.874,
    "gamma": 90.000
  },
  "wavelengths": [0.97650],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.693,2.45],
    "number_observations_unique": 25380,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03585
      },
      {
        "type": "R(meas)",
        "value": 0.0507
      },
      {
        "type": "I/SigI",
        "value": 13.33
      },
      {
        "type": "Completeness",
        "value": 91.83
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.538,2.45],
      "number_observations_unique": 2474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3884
        },
        {
          "type": "R(meas)",
          "value": 0.5493
        },
        {
          "type": "I/SigI",
          "value": 2.06
        },
        {
          "type": "Completeness",
          "value": 82.50
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.722
        }
      ]
    }
  ]

}
  

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


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