Data quality metrics extracted from 5n2l.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": "56d4e879957ae85d83096831a16b8c51",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 147.244,
    "b": 94.409,
    "c": 38.585,
    "alpha": 90.00,
    "beta": 95.43,
    "gamma": 90.00
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.95,1.89],
    "number_observations_unique": 41476,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.20
      },
      {
        "type": "R(pim)",
        "value": 0.131
      },
      {
        "type": "I/SigI",
        "value": 11.5
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.94,1.89],
      "number_observations_unique": 2554,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.914
        },
        {
          "type": "R(pim)",
          "value": 1.286
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 6.0
        }
      ]
    }
  ]

}
  

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


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