Data quality metrics extracted from 7b1k.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": "d9f9ae262794a57c0e233b2e458b8b08",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 62.314,
    "b": 70.758,
    "c": 95.545,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99989],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57,2.2],
    "number_observations_unique": 31163,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "R(meas)",
        "value": 0.22
      },
      {
        "type": "R(pim)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 97.67
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,2.2],
      "number_observations_unique": 2098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.7
        },
        {
          "type": "R(meas)",
          "value": 2.9
        },
        {
          "type": "R(pim)",
          "value": 1.07
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 96.86
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.39
        }
      ]
    }
  ]

}
  

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


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