Data quality metrics extracted from 12nv.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": "b68736d8ed5ee347f3e45261178fb46d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 67.311,
    "b": 65.230,
    "c": 84.229,
    "alpha": 90.00,
    "beta": 111.27,
    "gamma": 90.00
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.21,1.18],
    "number_observations_unique": 108183,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "R(meas)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 7.13
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "Redundancy",
        "value": 6.716
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations_unique": 10156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.776
        },
        {
          "type": "R(meas)",
          "value": 1.097
        },
        {
          "type": "CC(1/2)",
          "value": 0.356
        }
      ]
    },
    {
      "resolution_limits": [1.33,1.25],
      "number_observations_unique": 9887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.513
        },
        {
          "type": "R(meas)",
          "value": 0.726
        },
        {
          "type": "CC(1/2)",
          "value": 0.584
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.33],
      "number_observations_unique": 9880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "R(meas)",
          "value": 0.451
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.44],
      "number_observations_unique": 8948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "R(meas)",
          "value": 0.232
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.58],
      "number_observations_unique": 7649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.139
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.76],
      "number_observations_unique": 7109,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "R(meas)",
          "value": 0.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.03],
      "number_observations_unique": 5518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.52,2.49],
      "number_observations_unique": 3757,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [45.23,3.52],
      "number_observations_unique": 2168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.013
        },
        {
          "type": "R(meas)",
          "value": 0.018
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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