Data quality metrics extracted from 4n31.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": "6a53683d59036a14533a6568bb705bce",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 132.811,
    "b": 132.811,
    "c": 107.156,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95468],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.75,2.20],
    "number_observations_unique": 28860,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.127
      },
      {
        "type": "I/SigI",
        "value": 28.3
      },
      {
        "type": "Completeness",
        "value": 99.54
      },
      {
        "type": "Redundancy",
        "value": 42.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.20],
      "number_observations_unique": 4006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.655
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 41.4
        }
      ]
    },
    {
      "resolution_limits": [28.75,6.94],
      "number_observations_unique": 1043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 107.5
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 38.1
        }
      ]
    },
    {
      "resolution_limits": [6.94,4.91],
      "number_observations_unique": 1759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 91.2
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 41.2
        }
      ]
    },
    {
      "resolution_limits": [4.91,4.01],
      "number_observations_unique": 2230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 89.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 40.4
        }
      ]
    },
    {
      "resolution_limits": [4.01,3.47],
      "number_observations_unique": 2592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 54.5
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 42.0
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.11],
      "number_observations_unique": 2910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 32.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 43.1
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.83],
      "number_observations_unique": 3206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "I/SigI",
          "value": 17.0
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 43.7
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.62],
      "number_observations_unique": 3460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.696
        },
        {
          "type": "I/SigI",
          "value": 7.5
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 43.8
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.46],
      "number_observations_unique": 3718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.289
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 44.0
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.31],
      "number_observations_unique": 3936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.135
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 44.1
        }
      ]
    }
  ]

}
  

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


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