Data quality metrics extracted from 6ba1.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": "3c01c2dd3d0a4f0199b7be651a0388cc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 163.27,
    "b": 80.24,
    "c": 223.82,
    "alpha": 90.0,
    "beta": 106.5,
    "gamma": 90.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.240,2.900],
    "number_observations_unique": 122214,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.234
      },
      {
        "type": "R(meas)",
        "value": 0.253
      },
      {
        "type": "R(pim)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 6.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.950,2.900],
      "number_observations_unique": 5841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.797
        },
        {
          "type": "R(meas)",
          "value": 3.048
        },
        {
          "type": "R(pim)",
          "value": 1.189
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.641
        }
      ]
    },
    {
      "resolution_limits": [80.240,15.880],
      "number_observations_unique": 823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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