Data quality metrics extracted from 7frq.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": "4069186365c774c84e6ba3bc0ecdb46d",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 89.465,
    "b": 89.465,
    "c": 106.381,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96874],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.19,2.01],
    "number_observations": 195104,
    "number_observations_unique": 31617,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 94.87
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,2.01],
      "number_observations": 10099,
      "number_observations_unique": 1660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.58
        },
        {
          "type": "R(meas)",
          "value": 1.721
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 99.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.255
        }
      ]
    },
    {
      "resolution_limits": [53.21,5.45],
      "number_observations": 9917,
      "number_observations_unique": 1464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 29.8
        },
        {
          "type": "Completeness",
          "value": 80.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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