Data quality metrics extracted from 7frs.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": "5bf83484ead6a0bc8d76bd12b5e3a41d",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 89.569,
    "b": 89.569,
    "c": 106.338,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96874],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.17,1.830],
    "number_observations": 421703,
    "number_observations_unique": 43992,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.83],
      "number_observations": 17821,
      "number_observations_unique": 2139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.602
        },
        {
          "type": "R(meas)",
          "value": 2.775
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.325
        }
      ]
    },
    {
      "resolution_limits": [53.19,4.97],
      "number_observations": 21420,
      "number_observations_unique": 2353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 31.3
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    }
  ]

}
  

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


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