Data quality metrics extracted from 5n74.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": "995ecbc01ce4a23c5e46fe54ae1f50c9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.350,
    "b": 183.272,
    "c": 42.387,
    "alpha": 90.00,
    "beta": 112.33,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.82,2.30],
    "number_observations_unique": 52463,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "R(meas)",
        "value": 0.056
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 2.8
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 6.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.3],
      "number_observations": 28695,
      "number_observations_unique": 8301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.504
        },
        {
          "type": "R(meas)",
          "value": 0.501
        },
        {
          "type": "R(pim)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 2.83
        },
        {
          "type": "Completeness",
          "value": 97.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.81
        }
      ]
    }
  ]

}
  

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


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