Data quality metrics extracted from 6n03.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": "0b0ad132ea1fa70e1cfbc38ade3ecd17",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 37.03,
    "b": 45.90,
    "c": 82.91,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.21600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.16,2.1],
    "number_observations_unique": 8687,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.2576
      },
      {
        "type": "R(pim)",
        "value": 0.0617
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 99.76
      },
      {
        "type": "Redundancy",
        "value": 17.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.1],
      "number_observations_unique": 853,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 5.117
        },
        {
          "type": "R(pim)",
          "value": 1.234
        },
        {
          "type": "I/SigI",
          "value": 1.04
        },
        {
          "type": "Completeness",
          "value": 99.65
        },
        {
          "type": "Redundancy",
          "value": 16.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.253
        }
      ]
    }
  ]

}
  

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


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