Data quality metrics extracted from 4g0d.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": "6acd10cf98604ab7f34b80d2eef1f043",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 101.26,
    "b": 105.90,
    "c": 101.18,
    "alpha": 90.00,
    "beta": 102.11,
    "gamma": 90.00
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.540],
    "number_observations_unique": 68894,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.258
      },
      {
        "type": "I/SigI",
        "value": 8.47
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 4.05
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.54],
      "number_observations_unique": 11079,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.114
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 4.01
        }
      ]
    },
    {
      "resolution_limits": [50.0,7.54],
      "number_observations_unique": 2738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.60
        },
        {
          "type": "I/SigI",
          "value": 24.21
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 3.876
        }
      ]
    },
    {
      "resolution_limits": [7.54,5.36],
      "number_observations_unique": 4746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 16.70
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 4.03
        }
      ]
    },
    {
      "resolution_limits": [5.36,4.39],
      "number_observations_unique": 6070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 17.27
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 4.05
        }
      ]
    },
    {
      "resolution_limits": [4.39,3.80],
      "number_observations_unique": 7199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 14.88
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 4.08
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.40],
      "number_observations_unique": 8093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 10.82
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 4.09
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.11],
      "number_observations_unique": 8983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 7.09
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 4.09
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.88],
      "number_observations_unique": 9710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.680
        },
        {
          "type": "I/SigI",
          "value": 4.30
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.08
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.69],
      "number_observations_unique": 10427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.804
        },
        {
          "type": "I/SigI",
          "value": 2.75
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 4.02
        }
      ]
    }
  ]

}
  

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


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