Data quality metrics extracted from 9q4x.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": "d7c0b92d5449d90244a5b377f02b3f13",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.961,
    "b": 154.216,
    "c": 109.105,
    "alpha": 90.00,
    "beta": 90.71,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.262,2.15],
    "number_observations_unique": 106335,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.164
      },
      {
        "type": "R(meas)",
        "value": 0.184
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 4.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.15],
      "number_observations_unique": 5075,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.079
        },
        {
          "type": "R(meas)",
          "value": 2.350
        },
        {
          "type": "R(pim)",
          "value": 1.072
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.375
        }
      ]
    }
  ]

}
  

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


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