Data quality metrics extracted from 7ta6.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": "9c81a890c2d9c39d149f995a00fa1c9f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 143.774,
    "b": 143.552,
    "c": 76.888,
    "alpha": 90.00,
    "beta": 97.85,
    "gamma": 90.00
  },
  "wavelengths": [1.03323],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [101.110,2.670],
    "number_observations": 298842,
    "number_observations_unique": 43735,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 9.500
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.820,2.670],
      "number_observations": 44479,
      "number_observations_unique": 6348,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.789
        },
        {
          "type": "R(meas)",
          "value": 1.931
        },
        {
          "type": "R(pim)",
          "value": 0.724
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.428
        }
      ]
    },
    {
      "resolution_limits": [101.110,8.450],
      "number_observations": 8943,
      "number_observations_unique": 1411,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 25.800
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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