Data quality metrics extracted from 7sa9.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": "0b5d859db0c4a54d19b2b8d9be346c17",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 78.540,
    "b": 90.145,
    "c": 42.821,
    "alpha": 90.000,
    "beta": 102.877,
    "gamma": 90.000
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.36,1.69],
    "number_observations_unique": 32113,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05976
      },
      {
        "type": "R(meas)",
        "value": 0.07165
      },
      {
        "type": "R(pim)",
        "value": 0.03909
      },
      {
        "type": "I/SigI",
        "value": 9.74
      },
      {
        "type": "Completeness",
        "value": 98.60
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.751,1.69],
      "number_observations_unique": 10606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6197
        },
        {
          "type": "R(meas)",
          "value": 0.3973
        },
        {
          "type": "I/SigI",
          "value": 1.40
        },
        {
          "type": "Completeness",
          "value": 97.30
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.52
        }
      ]
    }
  ]

}
  

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


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