Data quality metrics extracted from 4zwn.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": "5fcfab93f020062ced9e61ecaed93e6e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 77.196,
    "b": 108.566,
    "c": 167.667,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.270,2.490],
    "number_observations": 439569,
    "number_observations_unique": 49134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.198
      },
      {
        "type": "R(pim)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 10.500
      },
      {
        "type": "Completeness",
        "value": 98.400
      },
      {
        "type": "Redundancy",
        "value": 8.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.570,2.490],
      "number_observations": 35355,
      "number_observations_unique": 4147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.498
        },
        {
          "type": "R(pim)",
          "value": 0.536
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 91.600
        },
        {
          "type": "Redundancy",
          "value": 8.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.490
        }
      ]
    },
    {
      "resolution_limits": [45.270,9.960],
      "number_observations": 6519,
      "number_observations_unique": 813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 30.800
        },
        {
          "type": "Completeness",
          "value": 94.600
        },
        {
          "type": "Redundancy",
          "value": 8.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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