Data quality metrics extracted from 7t13.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": "5a7ca0978941ba67fb738d7667b235be",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 90.289,
    "b": 156.609,
    "c": 118.890,
    "alpha": 90.00,
    "beta": 107.33,
    "gamma": 90.00
  },
  "wavelengths": [0.97945],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.300,3.150],
    "number_observations": 65258,
    "number_observations_unique": 25912,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.198
      },
      {
        "type": "R(meas)",
        "value": 0.247
      },
      {
        "type": "R(pim)",
        "value": 0.146
      },
      {
        "type": "I/SigI",
        "value": 3.600
      },
      {
        "type": "Completeness",
        "value": 95.400
      },
      {
        "type": "Redundancy",
        "value": 2.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.943
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.370,3.150],
      "number_observations": 10927,
      "number_observations_unique": 4636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.539
        },
        {
          "type": "R(meas)",
          "value": 0.682
        },
        {
          "type": "R(pim)",
          "value": 0.414
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 2.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.630
        }
      ]
    },
    {
      "resolution_limits": [78.300,8.910],
      "number_observations": 2900,
      "number_observations_unique": 1144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "R(pim)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 5.900
        },
        {
          "type": "Completeness",
          "value": 93.800
        },
        {
          "type": "Redundancy",
          "value": 2.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    }
  ]

}
  

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


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