Data quality metrics extracted from 7frj.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": "b35289c1f2ac0835306c81caca5e6f2a",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 89.603,
    "b": 89.603,
    "c": 106.302,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96874],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.8,1.80],
    "number_observations": 430645,
    "number_observations_unique": 46272,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.8],
      "number_observations": 19632,
      "number_observations_unique": 2311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.436
        },
        {
          "type": "R(meas)",
          "value": 2.594
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.305
        }
      ]
    },
    {
      "resolution_limits": [44.82,4.88],
      "number_observations": 22251,
      "number_observations_unique": 2496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 39.8
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    }
  ]

}
  

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


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