Data quality metrics extracted from 7pbc.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": "88b117bd0b519dcd71775d5870a1391e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.33,
    "b": 77.50,
    "c": 115.12,
    "alpha": 90.00,
    "beta": 102.88,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.50,2.04],
    "number_observations_unique": 59081,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "R(meas)",
        "value": 0.145
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [77.50,9.12],
      "number_observations_unique": 709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.043
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.09,2.04],
      "number_observations_unique": 4351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.736
        },
        {
          "type": "R(meas)",
          "value": 1.005
        },
        {
          "type": "R(pim)",
          "value": 0.681
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.728
        }
      ]
    }
  ]

}
  

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


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