Data quality metrics extracted from 7rrf.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": "5a0de8f88b67d9d06b8cd4077c8e3d9f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.070,
    "b": 41.521,
    "c": 72.210,
    "alpha": 90.00,
    "beta": 103.75,
    "gamma": 90.00
  },
  "wavelengths": [1.19499],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.730,1.450],
    "number_observations": 135413,
    "number_observations_unique": 39468,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.028
      },
      {
        "type": "R(meas)",
        "value": 0.033
      },
      {
        "type": "R(pim)",
        "value": 0.017
      },
      {
        "type": "I/SigI",
        "value": 32.100
      },
      {
        "type": "Completeness",
        "value": 91.000
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.470,1.450],
      "number_observations": 2304,
      "number_observations_unique": 885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 42.300
        },
        {
          "type": "Redundancy",
          "value": 2.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [35.730,7.920],
      "number_observations": 941,
      "number_observations_unique": 287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 54.300
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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