Data quality metrics extracted from 4jqg.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": "aceb474bb580bb8eb1fd4d77682f96ac",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.14,
    "b": 57.48,
    "c": 171.42,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97298],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.849],
    "number_observations_unique": 29657,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.343
      },
      {
        "type": "I/SigI",
        "value": 5.29
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 8.46
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.85],
      "number_observations_unique": 4721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.045
        },
        {
          "type": "I/SigI",
          "value": 2.23
        },
        {
          "type": "Completeness",
          "value": 98.4
        },
        {
          "type": "Redundancy",
          "value": 8.35
        }
      ]
    },
    {
      "resolution_limits": [2.10,1.96],
      "number_observations_unique": 4473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.786
        },
        {
          "type": "I/SigI",
          "value": 3.07
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 8.25
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.10],
      "number_observations_unique": 4163,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.630
        },
        {
          "type": "I/SigI",
          "value": 3.86
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 8.52
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.26],
      "number_observations_unique": 3865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.519
        },
        {
          "type": "I/SigI",
          "value": 4.61
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 8.09
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.48],
      "number_observations_unique": 3479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.407
        },
        {
          "type": "I/SigI",
          "value": 5.82
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 8.78
        }
      ]
    },
    {
      "resolution_limits": [3.20,2.77],
      "number_observations_unique": 3135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "I/SigI",
          "value": 7.12
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 8.45
        }
      ]
    },
    {
      "resolution_limits": [3.91,3.20],
      "number_observations_unique": 2659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 9.18
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 9.12
        }
      ]
    },
    {
      "resolution_limits": [5.51,3.91],
      "number_observations_unique": 2113,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 9.74
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.64
        }
      ]
    },
    {
      "resolution_limits": [50.0,5.51],
      "number_observations_unique": 1268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "I/SigI",
          "value": 9.45
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 8.13
        }
      ]
    }
  ]

}
  

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


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