Data quality metrics extracted from 7kg1.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": "d2c1eb709d33e8d72b55ab0fff144fc5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 66.463,
    "b": 88.964,
    "c": 95.049,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.66,1.65],
    "number_observations_unique": 68294,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05614
      },
      {
        "type": "R(meas)",
        "value": 0.05845
      },
      {
        "type": "R(pim)",
        "value": 0.01608
      },
      {
        "type": "I/SigI",
        "value": 24.76
      },
      {
        "type": "Completeness",
        "value": 99.74
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.709,1.65],
      "number_observations_unique": 6747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.655
        },
        {
          "type": "R(meas)",
          "value": 1.719
        },
        {
          "type": "R(pim)",
          "value": 0.4605
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "Completeness",
          "value": 99.69
        },
        {
          "type": "Redundancy",
          "value": 13.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    }
  ]

}
  

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


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