Data quality metrics extracted from 4zyq.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": "26d764e58a92dddaa7f100ad8248e08b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 174.436,
    "b": 176.565,
    "c": 230.997,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.560,2.600],
    "number_observations": 820325,
    "number_observations_unique": 194315,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.252
      },
      {
        "type": "R(pim)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 5.600
      },
      {
        "type": "Completeness",
        "value": 89.400
      },
      {
        "type": "Redundancy",
        "value": 4.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.640,2.600],
      "number_observations": 40584,
      "number_observations_unique": 9833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.341
        },
        {
          "type": "R(pim)",
          "value": 0.660
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 92.000
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    },
    {
      "resolution_limits": [48.560,14.240],
      "number_observations": 4994,
      "number_observations_unique": 1178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 12.900
        },
        {
          "type": "Completeness",
          "value": 81.100
        },
        {
          "type": "Redundancy",
          "value": 4.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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