Data quality metrics extracted from 7q1o.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": "7a5f1e68fa03b123039a0b5fb952c69e",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 154.81,
    "b": 154.81,
    "c": 135.25,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.29,2.65],
    "number_observations_unique": 24135,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1106
      },
      {
        "type": "R(meas)",
        "value": 0.1127
      },
      {
        "type": "R(pim)",
        "value": 0.02155
      },
      {
        "type": "I/SigI",
        "value": 28.83
      },
      {
        "type": "Completeness",
        "value": 99.82
      },
      {
        "type": "Redundancy",
        "value": 27.0
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.745,2.65],
      "number_observations_unique": 2356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.543
        },
        {
          "type": "R(meas)",
          "value": 1.574
        },
        {
          "type": "R(pim)",
          "value": 0.3044
        },
        {
          "type": "I/SigI",
          "value": 2.37
        },
        {
          "type": "Completeness",
          "value": 99.12
        },
        {
          "type": "Redundancy",
          "value": 25.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.82
        }
      ]
    }
  ]

}
  

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


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