Data quality metrics extracted from 9tb1.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "19cef19b1621d8751a3329602c01e8f6",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 64.660,
    "b": 64.660,
    "c": 11.417,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.62000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.66,1.59],
    "number_observations_unique": 6855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.269
      },
      {
        "type": "R(meas)",
        "value": 0.318
      },
      {
        "type": "R(pim)",
        "value": 0.169
      },
      {
        "type": "I/SigI",
        "value": 3.8
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [64.66,8.71],
      "number_observations_unique": 62,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "R(pim)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 9.8
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.59],
      "number_observations_unique": 353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.936
        },
        {
          "type": "R(meas)",
          "value": 3.480
        },
        {
          "type": "R(pim)",
          "value": 1.850
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.173
        }
      ]
    }
  ]

}
  

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


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