Data quality metrics extracted from 7ts1.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": "4a93b82604208009a931f69c8b28a804",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.548,
    "b": 162.872,
    "c": 117.133,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98450],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.2710,2.060],
    "number_observations_unique": 118887,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.264
      },
      {
        "type": "R(meas)",
        "value": 0.298
      },
      {
        "type": "R(pim)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 2.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 4.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.100,2.060],
      "number_observations": 26099,
      "number_observations_unique": 5838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.771
        },
        {
          "type": "R(meas)",
          "value": 4.271
        },
        {
          "type": "R(pim)",
          "value": 1.971
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.123
        }
      ]
    },
    {
      "resolution_limits": [49.260,11.280],
      "number_observations": 3679,
      "number_observations_unique": 752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "R(pim)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 4.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    }
  ]

}
  

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


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