Data quality metrics extracted from 7sjj.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": "1a9d55b9ac59a215c4e32e3811dfffc0",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 66.164,
    "b": 66.164,
    "c": 40.896,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.71260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.290,0.950],
    "number_observations": 2546198,
    "number_observations_unique": 61787,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.116
      },
      {
        "type": "R(pim)",
        "value": 0.018
      },
      {
        "type": "I/SigI",
        "value": 17.900
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 41.200
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.970,0.950],
      "number_observations": 49902,
      "number_observations_unique": 2194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.012
        },
        {
          "type": "R(meas)",
          "value": 3.081
        },
        {
          "type": "R(pim)",
          "value": 0.620
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 69.400
        },
        {
          "type": "Redundancy",
          "value": 22.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.456
        }
      ]
    }
  ]

}
  

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


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