Data quality metrics extracted from 3nj8.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": "f9428fdf23a542bdcada3d34ec748594",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 78.256,
    "b": 78.256,
    "c": 189.077,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.0],
    "number_observations_unique": 16525,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.38
      },
      {
        "type": "Completeness",
        "value": 50.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.0],
      "number_observations_unique": 266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.442
        },
        {
          "type": "Completeness",
          "value": 7.3
        },
        {
          "type": "Redundancy",
          "value": 1.1
        }
      ]
    },
    {
      "resolution_limits": [2.95,2.7],
      "number_observations_unique": 2555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "Completeness",
          "value": 70.0
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    },
    {
      "resolution_limits": [50,4.68],
      "number_observations_unique": 3948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 3.3
        }
      ]
    }
  ]

}
  

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


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