Data quality metrics extracted from 6wnp.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": "c4932ca63b4485753d2568957918ae8e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 97.549,
    "b": 81.086,
    "c": 54.669,
    "alpha": 90.000,
    "beta": 116.979,
    "gamma": 90.000
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.823,1.44],
    "number_observations_unique": 67447,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06428
      },
      {
        "type": "R(meas)",
        "value": 0.07286
      },
      {
        "type": "R(pim)",
        "value": 0.03383
      },
      {
        "type": "I/SigI",
        "value": 19.85
      },
      {
        "type": "Completeness",
        "value": 99.00
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.494,1.443],
      "number_observations_unique": 6435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5341
        },
        {
          "type": "R(meas)",
          "value": 0.6036
        },
        {
          "type": "R(pim)",
          "value": 0.2782
        },
        {
          "type": "I/SigI",
          "value": 2.64
        },
        {
          "type": "Completeness",
          "value": 95.43
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    }
  ]

}
  

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


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