Data quality metrics extracted from 31ns.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": "0360fdba8bc20d5a335fab5a2ce3ebf6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.24,
    "b": 60.16,
    "c": 88.99,
    "alpha": 93.352,
    "beta": 100.453,
    "gamma": 101.854
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.58,1.81],
    "number_observations_unique": 108903,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.229
      },
      {
        "type": "R(meas)",
        "value": 0.238
      },
      {
        "type": "I/SigI",
        "value": 7.72
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.87,1.81],
      "number_observations_unique": 10000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.559
        },
        {
          "type": "R(meas)",
          "value": 1.750
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.391
        }
      ]
    }
  ]

}
  

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


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