Data quality metrics extracted from 7naa.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": "fbecf4c0fe9d5ad0995c903f0fee6066",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 100.127,
    "b": 239.330,
    "c": 53.982,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.9,2.75],
    "number_observations_unique": 34601,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.145
      },
      {
        "type": "R(meas)",
        "value": 0.159
      },
      {
        "type": "R(pim)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 11.14
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.84,2.75],
      "number_observations_unique": 3428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.57
        },
        {
          "type": "R(meas)",
          "value": 1.76
        },
        {
          "type": "R(pim)",
          "value": 0.76
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "Completeness",
          "value": 98.93
        },
        {
          "type": "CC(1/2)",
          "value": 0.60
        }
      ]
    }
  ]

}
  

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


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