Data quality metrics extracted from 4ifd.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": "dc648afb2be03a9c90299f2087f61c3f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 154.09,
    "b": 107.44,
    "c": 150.46,
    "alpha": 90.00,
    "beta": 110.63,
    "gamma": 90.00
  },
  "wavelengths": [0.91990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.64,2.805],
    "number_observations_unique": 99137,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.176
      },
      {
        "type": "I/SigI",
        "value": 12.25
      },
      {
        "type": "Completeness",
        "value": 87.4
      },
      {
        "type": "Redundancy",
        "value": 12.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.00,2.80],
      "number_observations_unique": 11922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.548
        },
        {
          "type": "I/SigI",
          "value": 1.89
        },
        {
          "type": "Completeness",
          "value": 56.5
        },
        {
          "type": "Redundancy",
          "value": 2.50
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.00],
      "number_observations_unique": 11179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.489
        },
        {
          "type": "I/SigI",
          "value": 3.55
        },
        {
          "type": "Completeness",
          "value": 69.2
        },
        {
          "type": "Redundancy",
          "value": 4.49
        }
      ]
    },
    {
      "resolution_limits": [3.50,3.20],
      "number_observations_unique": 17744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.471
        },
        {
          "type": "I/SigI",
          "value": 6.35
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 12.99
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.50],
      "number_observations_unique": 12650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "I/SigI",
          "value": 10.33
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 16.20
        }
      ]
    },
    {
      "resolution_limits": [4.20,3.80],
      "number_observations_unique": 11763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 14.12
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 16.68
        }
      ]
    },
    {
      "resolution_limits": [5.00,4.20],
      "number_observations_unique": 13703,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 19.07
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 16.64
        }
      ]
    },
    {
      "resolution_limits": [6.00,5.00],
      "number_observations_unique": 8451,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 19.87
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 16.61
        }
      ]
    },
    {
      "resolution_limits": [8.00,6.00],
      "number_observations_unique": 6727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 22.31
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 16.22
        }
      ]
    },
    {
      "resolution_limits": [20.00,8.00],
      "number_observations_unique": 4677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 32.43
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 15.83
        }
      ]
    },
    {
      "resolution_limits": [49.64,20.00],
      "number_observations_unique": 321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 35.76
        },
        {
          "type": "Completeness",
          "value": 91.2
        },
        {
          "type": "Redundancy",
          "value": 15.76
        }
      ]
    }
  ]

}
  

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


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