Data quality metrics extracted from 7n2k.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": "9d97f691bd35712b8d3a61cb3e5a7726",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 27.20,
    "b": 27.20,
    "c": 4.83,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [13.600,1.100],
    "number_observations": 7893,
    "number_observations_unique": 1357,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.211
      },
      {
        "type": "R(meas)",
        "value": 0.226
      },
      {
        "type": "I/SigI",
        "value": 4.920
      },
      {
        "type": "Completeness",
        "value": 83.400
      },
      {
        "type": "Redundancy",
        "value": 5.817
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.190,1.100],
      "number_observations": 431,
      "number_observations_unique": 191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.483
        },
        {
          "type": "R(meas)",
          "value": 0.601
        },
        {
          "type": "I/SigI",
          "value": 1.210
        },
        {
          "type": "Completeness",
          "value": 53.200
        },
        {
          "type": "Redundancy",
          "value": 2.257
        },
        {
          "type": "CC(1/2)",
          "value": 0.604
        }
      ]
    },
    {
      "resolution_limits": [1.310,1.190],
      "number_observations": 692,
      "number_observations_unique": 223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "R(meas)",
          "value": 0.371
        },
        {
          "type": "I/SigI",
          "value": 2.280
        },
        {
          "type": "Completeness",
          "value": 72.200
        },
        {
          "type": "Redundancy",
          "value": 3.103
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    },
    {
      "resolution_limits": [1.500,1.310],
      "number_observations": 1691,
      "number_observations_unique": 302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.351
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 3.530
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 5.599
        },
        {
          "type": "CC(1/2)",
          "value": 0.848
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.500],
      "number_observations": 2433,
      "number_observations_unique": 306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 6.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.951
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [13.600,1.880],
      "number_observations": 2646,
      "number_observations_unique": 335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.192
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 8.860
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 7.899
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    }
  ]

}
  

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


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