Data quality metrics extracted from 7q4g.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": "a2c0f38057d1ce5ef9a520effa708964",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.117,
    "b": 123.517,
    "c": 78.300,
    "alpha": 90.00,
    "beta": 98.02,
    "gamma": 90.00
  },
  "wavelengths": [1.07230],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.31,1.82],
    "number_observations_unique": 659722,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1912
      },
      {
        "type": "R(meas)",
        "value": 0.2074
      },
      {
        "type": "R(pim)",
        "value": 0.0796
      },
      {
        "type": "I/SigI",
        "value": 5.73
      },
      {
        "type": "Completeness",
        "value": 97.65
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.885,1.82],
      "number_observations_unique": 8371,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.079
        },
        {
          "type": "R(pim)",
          "value": 0.9429
        },
        {
          "type": "Completeness",
          "value": 81.68
        },
        {
          "type": "Redundancy",
          "value": 4.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.221
        }
      ]
    }
  ]

}
  

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


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