Data quality metrics extracted from 4irw.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": "3f66e17344cab3b27299bdb389f76a82",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 64.423,
    "b": 71.395,
    "c": 55.494,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54170],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.86,1.396],
    "number_observations_unique": 21044,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 15.4
      },
      {
        "type": "Completeness",
        "value": 81.5
      },
      {
        "type": "Redundancy",
        "value": 6.26
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.450,1.396],
      "number_observations": 1215,
      "number_observations_unique": 583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 1.80
        },
        {
          "type": "Completeness",
          "value": 22.9
        },
        {
          "type": "Redundancy",
          "value": 2.080
        }
      ]
    },
    {
      "resolution_limits": [1.500,1.450],
      "number_observations": 4044,
      "number_observations_unique": 1217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "I/SigI",
          "value": 2.80
        },
        {
          "type": "Completeness",
          "value": 47.5
        },
        {
          "type": "Redundancy",
          "value": 3.320
        }
      ]
    },
    {
      "resolution_limits": [1.570,1.500],
      "number_observations": 9111,
      "number_observations_unique": 1950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 4.10
        },
        {
          "type": "Completeness",
          "value": 77.4
        },
        {
          "type": "Redundancy",
          "value": 4.670
        }
      ]
    },
    {
      "resolution_limits": [1.650,1.570],
      "number_observations": 14434,
      "number_observations_unique": 2363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 91.9
        },
        {
          "type": "Redundancy",
          "value": 6.100
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.650],
      "number_observations": 15414,
      "number_observations_unique": 2348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 7.60
        },
        {
          "type": "Completeness",
          "value": 92.5
        },
        {
          "type": "Redundancy",
          "value": 6.540
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.760],
      "number_observations": 16977,
      "number_observations_unique": 2412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 10.30
        },
        {
          "type": "Completeness",
          "value": 93.5
        },
        {
          "type": "Redundancy",
          "value": 7.020
        }
      ]
    },
    {
      "resolution_limits": [2.080,1.890],
      "number_observations": 17116,
      "number_observations_unique": 2437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 13.30
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 7.010
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.080],
      "number_observations": 17248,
      "number_observations_unique": 2478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 15.50
        },
        {
          "type": "Completeness",
          "value": 95.9
        },
        {
          "type": "Redundancy",
          "value": 6.950
        }
      ]
    },
    {
      "resolution_limits": [3.010,2.390],
      "number_observations": 18193,
      "number_observations_unique": 2564,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 19.70
        },
        {
          "type": "Completeness",
          "value": 97.9
        },
        {
          "type": "Redundancy",
          "value": 7.080
        }
      ]
    },
    {
      "resolution_limits": [27.860,3.010],
      "number_observations": 18962,
      "number_observations_unique": 2692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 41.20
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 6.760
        }
      ]
    }
  ]

}
  

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


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