Data quality metrics extracted from 8w0m.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": "6dd9bb2ae2bd2c0cf1e8b0119c72e2f2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 101.399,
    "b": 115.398,
    "c": 106.265,
    "alpha": 90.0,
    "beta": 116.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.41,3.10],
    "number_observations": 279234,
    "number_observations_unique": 39912,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "R(meas)",
        "value": 0.179
      },
      {
        "type": "R(pim)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.18,3.10],
      "number_observations": 19321,
      "number_observations_unique": 2931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.440
        },
        {
          "type": "R(meas)",
          "value": 1.565
        },
        {
          "type": "R(pim)",
          "value": 0.607
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.570
        }
      ]
    }
  ]

}
  

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


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