Data quality metrics extracted from 12nr.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": "5f288afd39e8bee49fdea1d13518d072",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 66.895,
    "b": 65.310,
    "c": 83.667,
    "alpha": 90.00,
    "beta": 110.45,
    "gamma": 90.00
  },
  "wavelengths": [0.97718],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.22,1.12],
    "number_observations_unique": 820206,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "R(meas)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 4.48
      },
      {
        "type": "Completeness",
        "value": 56.0
      },
      {
        "type": "Redundancy",
        "value": 6.343
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.19,1.12],
      "number_observations_unique": 11912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.071
        },
        {
          "type": "R(meas)",
          "value": 1.515
        },
        {
          "type": "CC(1/2)",
          "value": 0.34
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.19],
      "number_observations_unique": 11558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.609
        },
        {
          "type": "R(meas)",
          "value": 0.861
        },
        {
          "type": "CC(1/2)",
          "value": 0.561
        }
      ]
    },
    {
      "resolution_limits": [1.37,1.27],
      "number_observations_unique": 10615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35
        },
        {
          "type": "R(meas)",
          "value": 0.495
        },
        {
          "type": "CC(1/2)",
          "value": 0.778
        }
      ]
    },
    {
      "resolution_limits": [1.5,1.37],
      "number_observations_unique": 10275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.276
        },
        {
          "type": "CC(1/2)",
          "value": 0.918
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.50],
      "number_observations_unique": 8552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.68],
      "number_observations_unique": 7496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.37,1.94],
      "number_observations_unique": 6154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [3.35,2.37],
      "number_observations_unique": 3930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [10,3.35],
      "number_observations_unique": 2204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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