Data quality metrics extracted from 7smc.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": "fe55398bd7af6e80910a8a5ec8d1e3ea",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 62.863,
    "b": 62.923,
    "c": 71.274,
    "alpha": 69.89,
    "beta": 76.00,
    "gamma": 74.36
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.11,2.7],
    "number_observations_unique": 26604,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.16
      },
      {
        "type": "I/SigI",
        "value": 5.3
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.7],
      "number_observations_unique": 3491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53
        },
        {
          "type": "I/SigI",
          "value": 2
        },
        {
          "type": "CC(1/2)",
          "value": 0.64
        }
      ]
    }
  ]

}
  

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


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