Data quality metrics extracted from 7clj.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": "73b96a74b5ad5d1e6fa9b9171ffb8f77",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 72.86,
    "b": 72.86,
    "c": 115.05,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.6],
    "number_observations_unique": 9975,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.3800
      },
      {
        "type": "I/SigI",
        "value": 5.36
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 7.71
      },
      {
        "type": "CC(1/2)",
        "value": 0.9820
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [30,7.58],
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.1210
        },
        {
          "type": "I/SigI",
          "value": 15.99
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "Redundancy",
          "value": 7.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.9970
        }
      ]
    },
    {
      "resolution_limits": [7.58,5.44],
      "number_observations_unique": 732,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.1940
        },
        {
          "type": "I/SigI",
          "value": 10.01
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 7.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.9860
        }
      ]
    },
    {
      "resolution_limits": [5.44,4.47],
      "number_observations_unique": 894,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.1870
        },
        {
          "type": "I/SigI",
          "value": 11.01
        },
        {
          "type": "Completeness",
          "value": 98.5
        },
        {
          "type": "Redundancy",
          "value": 6.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.9820
        }
      ]
    },
    {
      "resolution_limits": [4.47,3.88],
      "number_observations_unique": 1032,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.2150
        },
        {
          "type": "I/SigI",
          "value": 9.71
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 7.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.9700
        }
      ]
    },
    {
      "resolution_limits": [3.88,3.48],
      "number_observations_unique": 1173,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.3740
        },
        {
          "type": "I/SigI",
          "value": 5.76
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 7.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.9590
        }
      ]
    },
    {
      "resolution_limits": [3.48,3.18],
      "number_observations_unique": 1288,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.5680
        },
        {
          "type": "I/SigI",
          "value": 3.83
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 7.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.9200
        }
      ]
    },
    {
      "resolution_limits": [3.18,2.94],
      "number_observations_unique": 1382,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.9650
        },
        {
          "type": "I/SigI",
          "value": 2.26
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 8.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.7920
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.76],
      "number_observations_unique": 1480,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.2380
        },
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 8.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.7100
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.6],
      "number_observations_unique": 1530,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.8060
        },
        {
          "type": "I/SigI",
          "value": 1.04
        },
        {
          "type": "Completeness",
          "value": 98.6
        },
        {
          "type": "Redundancy",
          "value": 7.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.4840
        }
      ]
    }
  ]

}
  

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


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