Data quality metrics extracted from 7frt.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": "f4a095cb6cd09f3f18562a95d282cfc1",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 89.565,
    "b": 89.565,
    "c": 106.356,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96874],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.18,1.860],
    "number_observations": 242757,
    "number_observations_unique": 41901,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 9.0
      },
      {
        "type": "Completeness",
        "value": 99.86
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.86],
      "number_observations": 10782,
      "number_observations_unique": 2047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.877
        },
        {
          "type": "R(meas)",
          "value": 2.082
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.313
        }
      ]
    },
    {
      "resolution_limits": [53.2,5.05],
      "number_observations": 12231,
      "number_observations_unique": 2224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 33.6
        },
        {
          "type": "Completeness",
          "value": 98.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.98
        }
      ]
    }
  ]

}
  

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


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