Data quality metrics extracted from 5c3d.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": "f5daf2425d2e615b4390ab614dfe52e7",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.54,
    "b": 149.77,
    "c": 79.27,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.95,1.390],
    "number_observations": 247943,
    "number_observations_unique": 60710,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 24.100
      },
      {
        "type": "Completeness",
        "value": 96.000
      },
      {
        "type": "Redundancy",
        "value": 4.050
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.440,1.390],
      "number_observations": 11139,
      "number_observations_unique": 5432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.286
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 87.000
        },
        {
          "type": "Redundancy",
          "value": 2.050
        }
      ]
    },
    {
      "resolution_limits": [1.500,1.440],
      "number_observations": 20342,
      "number_observations_unique": 6116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 3.320
        }
      ]
    },
    {
      "resolution_limits": [1.570,1.500],
      "number_observations": 22049,
      "number_observations_unique": 6116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 5.100
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.590
        }
      ]
    },
    {
      "resolution_limits": [1.650,1.570],
      "number_observations": 23410,
      "number_observations_unique": 6200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "I/SigI",
          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.760
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.650],
      "number_observations": 24854,
      "number_observations_unique": 6186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 7.800
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.990
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.750],
      "number_observations": 27824,
      "number_observations_unique": 6215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 11.900
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.440
        }
      ]
    },
    {
      "resolution_limits": [2.080,1.890],
      "number_observations": 28547,
      "number_observations_unique": 6190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 20.900
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 4.570
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.080],
      "number_observations": 29536,
      "number_observations_unique": 6164,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 30.000
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 4.750
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.380],
      "number_observations": 30019,
      "number_observations_unique": 6113,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 44.000
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 4.870
        }
      ]
    },
    {
      "resolution_limits": [19.820,2.990],
      "number_observations": 30223,
      "number_observations_unique": 5978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 76.000
        },
        {
          "type": "Completeness",
          "value": 90.600
        },
        {
          "type": "Redundancy",
          "value": 4.990
        }
      ]
    }
  ]

}
  

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


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