Data quality metrics extracted from 6m55.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": "1148ecd5d23d4dd9cc1d5899d75e699d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 184.686,
    "b": 67.116,
    "c": 117.585,
    "alpha": 90.00,
    "beta": 128.54,
    "gamma": 90.00
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.99,2.9],
    "number_observations_unique": 24658,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1612
      },
      {
        "type": "R(meas)",
        "value": 0.1759
      },
      {
        "type": "R(pim)",
        "value": 0.06944
      },
      {
        "type": "I/SigI",
        "value": 7.27
      },
      {
        "type": "Completeness",
        "value": 96.66
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.9],
      "number_observations_unique": 1795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5642
        },
        {
          "type": "R(meas)",
          "value": 0.6255
        },
        {
          "type": "R(pim)",
          "value": 0.2658
        },
        {
          "type": "I/SigI",
          "value": 1.57
        },
        {
          "type": "Completeness",
          "value": 96.20
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    }
  ]

}
  

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


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