Data quality metrics extracted from 7nuv.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": "6ddac8e3861ad5af19b5580beecb1aad",
  "space_group_name": "P 4 21 2",
  "unit_cell": {
    "a": 44.840,
    "b": 44.840,
    "c": 141.153,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97916],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.05,1.64],
    "number_observations_unique": 28809,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "R(meas)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 14.7
      },
      {
        "type": "Completeness",
        "value": 82.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.64],
      "number_observations_unique": 1717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.144
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.554
        }
      ]
    },
    {
      "resolution_limits": [44.417,4.455],
      "number_observations_unique": 1769,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 37.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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