Data quality metrics extracted from 4fqt.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": "e7d69d3011970010debedc78b95885bb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.769,
    "b": 68.993,
    "c": 64.552,
    "alpha": 90.00,
    "beta": 104.71,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.260,1.570],
    "number_observations_unique": 26439,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "I/SigI",
        "value": 4.500
      },
      {
        "type": "Completeness",
        "value": 68.400
      },
      {
        "type": "Redundancy",
        "value": 3.170
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.630,1.570],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.750
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 3.800
        },
        {
          "type": "Redundancy",
          "value": 1.160
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.630],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.642
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 17.900
        },
        {
          "type": "Redundancy",
          "value": 1.560
        }
      ]
    },
    {
      "resolution_limits": [1.770,1.690],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.651
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 34.300
        },
        {
          "type": "Redundancy",
          "value": 1.820
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.770],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.699
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 53.700
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.860],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.616
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 76.900
        },
        {
          "type": "Redundancy",
          "value": 2.220
        }
      ]
    },
    {
      "resolution_limits": [2.130,1.980],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.615
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 2.940
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.130],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.750
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.350],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.790
        }
      ]
    },
    {
      "resolution_limits": [3.380,2.690],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 7.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.790
        }
      ]
    },
    {
      "resolution_limits": [46.260,3.380],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 11.400
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.740
        }
      ]
    }
  ]

}
  

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


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