Data quality metrics extracted from 8en3.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": "e5ec6c43dcbbf97f2aa61ef2a6fe8dc8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 79.495,
    "b": 71.306,
    "c": 82.615,
    "alpha": 90.00,
    "beta": 113.32,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.4],
    "number_observations_unique": 49644,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.103
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.230,2.100],
      "number_observations_unique": 7978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.046
        },
        {
          "type": "R(meas)",
          "value": 1.139
        },
        {
          "type": "I/SigI",
          "value": 1.540
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.378
        },
        {
          "type": "CC(1/2)",
          "value": 0.627
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.230],
      "number_observations_unique": 7478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.840
        },
        {
          "type": "R(meas)",
          "value": 0.910
        },
        {
          "type": "I/SigI",
          "value": 2.060
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.748
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.380],
      "number_observations_unique": 6969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.735
        },
        {
          "type": "R(meas)",
          "value": 0.792
        },
        {
          "type": "I/SigI",
          "value": 2.460
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.230
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.570],
      "number_observations_unique": 6452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.544
        },
        {
          "type": "R(meas)",
          "value": 0.587
        },
        {
          "type": "I/SigI",
          "value": 3.340
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.114
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [3.150,2.820],
      "number_observations_unique": 5829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "R(meas)",
          "value": 0.384
        },
        {
          "type": "I/SigI",
          "value": 5.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.747
        },
        {
          "type": "CC(1/2)",
          "value": 0.944
        }
      ]
    },
    {
      "resolution_limits": [3.630,3.150],
      "number_observations_unique": 5177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(meas)",
          "value": 0.228
        },
        {
          "type": "I/SigI",
          "value": 8.120
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.740
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [4.440,3.630],
      "number_observations_unique": 4399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 12.580
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.221
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [6.260,4.440],
      "number_observations_unique": 3405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 11.730
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.646
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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