Data quality metrics extracted from 4kfm.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": "39047d86febf1b2258b2cc3ae84faefa",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 127.308,
    "b": 127.308,
    "c": 309.392,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.450],
    "number_observations_unique": 16537,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.226
      },
      {
        "type": "I/SigI",
        "value": 3.500
      },
      {
        "type": "Completeness",
        "value": 96.000
      },
      {
        "type": "Redundancy",
        "value": 10.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.570,3.450],
      "number_observations_unique": 1220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.998
        },
        {
          "type": "Completeness",
          "value": 72.500
        },
        {
          "type": "Redundancy",
          "value": 8.700
        }
      ]
    },
    {
      "resolution_limits": [3.720,3.570],
      "number_observations_unique": 1478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.589
        },
        {
          "type": "Completeness",
          "value": 87.900
        },
        {
          "type": "Redundancy",
          "value": 10.000
        }
      ]
    },
    {
      "resolution_limits": [3.890,3.720],
      "number_observations_unique": 1673,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 10.900
        }
      ]
    },
    {
      "resolution_limits": [4.090,3.890],
      "number_observations_unique": 1699,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.000
        }
      ]
    },
    {
      "resolution_limits": [4.350,4.090],
      "number_observations_unique": 1689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.304
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.000
        }
      ]
    },
    {
      "resolution_limits": [4.680,4.350],
      "number_observations_unique": 1711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.000
        }
      ]
    },
    {
      "resolution_limits": [5.150,4.680],
      "number_observations_unique": 1715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.900
        }
      ]
    },
    {
      "resolution_limits": [5.900,5.150],
      "number_observations_unique": 1731,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.900
        }
      ]
    },
    {
      "resolution_limits": [7.430,5.900],
      "number_observations_unique": 1760,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.700
        }
      ]
    },
    {
      "resolution_limits": [50.000,7.430],
      "number_observations_unique": 1861,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 10.000
        }
      ]
    }
  ]

}
  

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


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