Data quality metrics extracted from 7zk1.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": "725426709ea6cbe057c2456fa9175598",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 62.787,
    "b": 319.962,
    "c": 45.648,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.990,2.650],
    "number_observations_unique": 28079,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.542
      },
      {
        "type": "R(meas)",
        "value": 0.554
      },
      {
        "type": "R(pim)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 5.900
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 20
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.790,2.650],
      "number_observations": 54370,
      "number_observations_unique": 4012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.095
        },
        {
          "type": "R(meas)",
          "value": 7.380
        },
        {
          "type": "R(pim)",
          "value": 2.011
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.379
        }
      ]
    },
    {
      "resolution_limits": [79.990,8.370],
      "number_observations": 21984,
      "number_observations_unique": 1046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.139
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 17.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 21.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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