Data quality metrics extracted from 4f4l.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": "d4b0f5b6bc092d4b1c1896daf3f14603",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 117.07,
    "b": 74.08,
    "c": 107.93,
    "alpha": 90.00,
    "beta": 118.26,
    "gamma": 90.00
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.1,3.49],
    "number_observations_unique": 8747,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 22.98
      },
      {
        "type": "Completeness",
        "value": 83.1
      },
      {
        "type": "Redundancy",
        "value": 11.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.9,3.49],
      "number_observations_unique": 2961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "I/SigI",
          "value": 3.29
        },
        {
          "type": "Completeness",
          "value": 47.8
        },
        {
          "type": "Redundancy",
          "value": 10.9
        }
      ]
    },
    {
      "resolution_limits": [4.5,3.9],
      "number_observations_unique": 2609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 6.78
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 11.3
        }
      ]
    },
    {
      "resolution_limits": [5.5,4.5],
      "number_observations_unique": 2213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 17.56
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 11.3
        }
      ]
    },
    {
      "resolution_limits": [7.8,5.5],
      "number_observations_unique": 1776,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 38.17
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 11.1
        }
      ]
    },
    {
      "resolution_limits": [95,7.8],
      "number_observations_unique": 987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 77.75
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 10.3
        }
      ]
    }
  ]

}
  

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


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