Data quality metrics extracted from 12nz.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "eac5dcd598d6ad5d99904d8b70246c91",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 117.328,
    "b": 67.873,
    "c": 255.088,
    "alpha": 90.00,
    "beta": 99.31,
    "gamma": 90.00
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.52,2.3],
    "number_observations_unique": 79780,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.229
      },
      {
        "type": "R(meas)",
        "value": 0.297
      },
      {
        "type": "I/SigI",
        "value": 2.60
      },
      {
        "type": "Completeness",
        "value": 45.3
      },
      {
        "type": "Redundancy",
        "value": 5.694
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.30],
      "number_observations_unique": 6653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.277
        },
        {
          "type": "R(meas)",
          "value": 1.677
        },
        {
          "type": "CC(1/2)",
          "value": 0.186
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.44],
      "number_observations_unique": 6422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.966
        },
        {
          "type": "R(meas)",
          "value": 1.272
        },
        {
          "type": "CC(1/2)",
          "value": 0.293
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.61],
      "number_observations_unique": 5856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.711
        },
        {
          "type": "R(meas)",
          "value": 0.951
        },
        {
          "type": "CC(1/2)",
          "value": 0.393
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.82],
      "number_observations_unique": 5338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.475
        },
        {
          "type": "R(meas)",
          "value": 0.621
        },
        {
          "type": "CC(1/2)",
          "value": 0.628
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.08],
      "number_observations_unique": 4815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.26
        },
        {
          "type": "R(meas)",
          "value": 0.329
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
        }
      ]
    },
    {
      "resolution_limits": [3.97,3.44],
      "number_observations_unique": 3993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.173
        },
        {
          "type": "R(meas)",
          "value": 0.218
        },
        {
          "type": "CC(1/2)",
          "value": 0.94
        }
      ]
    },
    {
      "resolution_limits": [4.86,3.97],
      "number_observations_unique": 3182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [6.83,4.86],
      "number_observations_unique": 2448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [46.52,6.83],
      "number_observations_unique": 1340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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