Data quality metrics extracted from 5nyw.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": "b3b3b80e731b866a962724135cf025da",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 95.535,
    "b": 285.371,
    "c": 179.213,
    "alpha": 90.00,
    "beta": 91.78,
    "gamma": 90.00
  },
  "wavelengths": [0.97935],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.50],
    "number_observations_unique": 325849,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 14.63
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 5.78
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.078
        },
        {
          "type": "I/SigI",
          "value": 2.06
        },
        {
          "type": "Completeness",
          "value": 95.1
        },
        {
          "type": "Redundancy",
          "value": 5.69
        }
      ]
    }
  ]

}
  

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


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