Data quality metrics extracted from 8cmc.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": "a2a474e3b71dfd5463eac4e6feccb80b",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 60.576,
    "b": 60.576,
    "c": 419.245,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.47,1.42],
    "number_observations_unique": 88010,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.0187
      },
      {
        "type": "I/SigI",
        "value": 16.93
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 38.9
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "number_observations_unique": 8568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.341
        },
        {
          "type": "R(meas)",
          "value": 3.383
        },
        {
          "type": "R(pim)",
          "value": 0.530
        },
        {
          "type": "I/SigI",
          "value": 0.73
        },
        {
          "type": "Completeness",
          "value": 99.63
        },
        {
          "type": "Redundancy",
          "value": 39.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.663
        }
      ]
    }
  ]

}
  

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


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